4-pentenyl isothiocyanate

Modify Date: 2025-08-25 08:01:02

4-pentenyl isothiocyanate Structure
4-pentenyl isothiocyanate structure
 Common Name 4-pentenyl isothiocyanate
CAS Number 18060-79-2 Molecular Weight 127.20700
Density 0.9g/cm3 Boiling Point 182.8ºC at 760mmHg
Molecular Formula C6H9NS Melting Point N/A
MSDS USA Flash Point 57.8ºC

 Names

Name 5-isothiocyanatopent-1-ene
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9g/cm3
Boiling Point 182.8ºC at 760mmHg
Molecular Formula C6H9NS
Molecular Weight 127.20700
Flash Point 57.8ºC
Exact Mass 127.04600
PSA 44.45000
LogP 2.05540
Vapour Pressure 1.09mmHg at 25°C
Index of Refraction 1.483
InChIKey DBISBKDNOKIADM-UHFFFAOYSA-N
SMILES C=CCCCN=C=S

 Safety Information

Hazard Codes F+
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

Thiophosgene structure

Thiophosgene

CAS#:463-71-8

4-Penten-1-amine structure

4-Penten-1-amine

CAS#:22537-07-1

~%

4-pentenyl isothiocyanate Structure

4-pentenyl isot...

CAS#:18060-79-2

Literature: Acta Chemica Scandinavica (1947-1973), , vol. 10, p. 1365,1368, 1371
2-pent-4-en-1-yl-1H-isoindole-1,3(2H)-dione structure

2-pent-4-en-1-y...

CAS#:7736-25-6

~%

4-pentenyl isothiocyanate Structure

4-pentenyl isot...

CAS#:18060-79-2

Literature: European Journal of Medicinal Chemistry, , vol. 38, # 7-8 p. 729 - 737
1-bromo-4-pentene structure

1-bromo-4-pentene

CAS#:1119-51-3

~%

4-pentenyl isothiocyanate Structure

4-pentenyl isot...

CAS#:18060-79-2

Literature: European Journal of Medicinal Chemistry, , vol. 38, # 7-8 p. 729 - 737

 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%

 Synonyms

pent-4-enyl isothiocyanate
4-Pentenyl isothiocyanate
Pent-4-enylisothiocyanat
5-isothiocyano-1-pentene
1-Pentene,5-isothiocyanato
4-Penten-1-yl Isothiocyanate
Isothiocyanic Acid 4-Penten-1-yl Ester
pent-4-en-1-yl isothiocyanate
3-Pentenyl isothiocyanate
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