4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID

Modify Date: 2025-08-25 17:49:37

4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID Structure
4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID structure
Common Name 4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID
CAS Number 201611-92-9 Molecular Weight 279.37800
Density 1.309g/cm3 Boiling Point 473.01ºC at 760 mmHg
Molecular Formula C13H13NO2S2 Melting Point 97 °C
MSDS Chinese USA Flash Point 239.868ºC
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.309g/cm3
Boiling Point 473.01ºC at 760 mmHg
Melting Point 97 °C
Molecular Formula C13H13NO2S2
Molecular Weight 279.37800
Flash Point 239.868ºC
Exact Mass 279.03900
PSA 118.48000
LogP 3.24238
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.632
InChIKey YNKQCPNHMVAWHN-UHFFFAOYSA-N
SMILES CC(C#N)(CCC(=O)O)SC(=S)c1ccccc1

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H317
Precautionary Statements P280
Hazard Codes Xi
RIDADR NONH for all modes of transport
HS Code 2930909090

 Synthetic Route

~75%

4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID Structure

4-CYANO-4-(THIO...

CAS#:201611-92-9

Literature: Chemical Communications, , vol. 47, # 38 p. 10656 - 10658

~59%

4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID Structure

4-CYANO-4-(THIO...

CAS#:201611-92-9

Literature: US2004/138492 A1, ; Page 4 ;

~43%

4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID Structure

4-CYANO-4-(THIO...

CAS#:201611-92-9

Literature: Macromolecules, , vol. 38, # 16 p. 6841 - 6848

~%

4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID Structure

4-CYANO-4-(THIO...

CAS#:201611-92-9

Literature: Macromolecules, , vol. 37, # 20 p. 7530 - 7537

~%

4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID Structure

4-CYANO-4-(THIO...

CAS#:201611-92-9

Literature: Macromolecules, , vol. 37, # 20 p. 7530 - 7537

~%

4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID Structure

4-CYANO-4-(THIO...

CAS#:201611-92-9

Literature: Canadian Journal of Chemistry, , vol. 89, # 3 p. 317 - 325

~35%

4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID Structure

4-CYANO-4-(THIO...

CAS#:201611-92-9

Literature: Canadian Journal of Chemistry, , vol. 89, # 3 p. 317 - 325

~%

4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID Structure

4-CYANO-4-(THIO...

CAS#:201611-92-9

Literature: Canadian Journal of Chemistry, , vol. 89, # 3 p. 317 - 325

~%

4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID Structure

4-CYANO-4-(THIO...

CAS#:201611-92-9

Literature: Canadian Journal of Chemistry, , vol. 89, # 3 p. 317 - 325

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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 Synonyms

4-Cyano-4-(thiobenzoylthio)pentanoic acid
YNKQCPNHMVAWHN-UHFFFAOYSA
6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid
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