3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Modify Date: 2025-09-18 18:00:23

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure
3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure
 Common Name 3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS Number 42076-13-1 Molecular Weight 314.42500
Density 1.45g/cm3 Boiling Point 522.9ºC at 760 mmHg
Molecular Formula C16H14N2OS2 Melting Point N/A
MSDS N/A Flash Point 270ºC

 Names

Name 3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.45g/cm3
Boiling Point 522.9ºC at 760 mmHg
Molecular Formula C16H14N2OS2
Molecular Weight 314.42500
Flash Point 270ºC
Exact Mass 314.05500
PSA 101.93000
LogP 3.61470
Index of Refraction 1.75

 Safety Information

HS Code 2934999090

 Synthetic Route

Phenyl isothiocyanate structure

Phenyl isothioc...

CAS#:103-72-0

2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure

2-Amino-4,5,6,7...

CAS#:4815-28-5

~73%

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

Literature: Mohareb, Rafat M.; Sherif, Sherif M.; Gaber, Hatem M.; Ghabrial, Sami S.; Aziz, Susan I. Heteroatom Chemistry, 2003 , vol. 14, # 5 p. 459 - 467
ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

ethyl 2-(phenyl...

CAS#:42076-12-0

~42%

2-hydrazino-3-phenyl-5,6,7,8-tetrahydrobenzo[b]thieno-[2,3-d]pyrimidin-4(3H)-one structure

2-hydrazino-3-p...

CAS#:142465-12-1

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

(1)Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-amino-2-(phenylamino)- structure

(1)Benzothieno(...

CAS#:168280-54-4

Literature: El-Sherief, Hassan A. H.; El-Naggar, Galal M.; Hozien, Zeinab A.; El-Sawaisi, Suliman M. Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 2 p. 467 - 473
ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

ethyl 2-(phenyl...

CAS#:42076-12-0

~%

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

Literature: Wang, Ke; Li, Jinfeng; Degterev, Alexei; Hsu, Emily; Yuan, Junying; Yuan, Chengye Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 5 p. 1455 - 1465
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE structure

ETHYL 2-AMINO-4...

CAS#:4506-71-2

~%

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

Literature: Wang, Ke; Li, Jinfeng; Degterev, Alexei; Hsu, Emily; Yuan, Junying; Yuan, Chengye Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 5 p. 1455 - 1465
Phenyl isothiocyanate structure

Phenyl isothioc...

CAS#:103-72-0

~%

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

Literature: Wang, Ke; Li, Jinfeng; Degterev, Alexei; Hsu, Emily; Yuan, Junying; Yuan, Chengye Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 5 p. 1455 - 1465
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE structure

ETHYL 2-AMINO-4...

CAS#:4506-71-2

Phenyl isothiocyanate structure

Phenyl isothioc...

CAS#:103-72-0

~27%

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

Literature: Ram; Pandey; Vlietinck Journal of Heterocyclic Chemistry, 1981 , vol. 18, # 7 p. 1277 - 1280

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-mercapto-3-phenyl-4-oxo-5,6-tetramethylenothieno<2,3-d>pyrimidine
3-phenyl-2-thio-4-oxo-3,4,5,6,7,8-hexahydrobenzo<b>thieno<2,3-d>pyrimidine
2-Mercapto-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
2-mercapto-3-phenyl-5,6,7,8-tetrahydrobenzo[b]thieno-[2,3-d]pyrimidin-4(3H)-one
2-mercapto-3-phenyl-5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimid-4(3H)-one
3-phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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Chemsrc provides CAS#:42076-13-1 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one>> amp version: 3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

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