Cyclopentyl isothiocyanate
Properties
- Molecular formula
- C6H9NS
- Molar mass
- 127.21 g/mol
- Exact mass
- 127.0456 Da
- logP
- 2.03Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed85.1% of notifiers
- H302 Harmful if swallowed14.9% of notifiers
- H312+H332 Harmful in contact with skin or if inhaled83% of notifiers
- H312 Harmful in contact with skin93.6% of notifiers
- H314 Causes severe skin burns and eye damage95.7% of notifiers
- H332 Harmful if inhaled93.6% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
33522-03-1SMILES
C1CCC(C1)N=C=SInChIKey
PJOODZCPFADLCI-UHFFFAOYSA-NInChI
InChI=1S/C6H9NS/c8-5-7-6-3-1-2-4-6/h6H,1-4H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Cyclopentyl isothiocyanate
Similar compounds
Cyclohexyl isothiocyanate1122-82-394 % similar
Cyclopropyl isothiocyanate56601-42-478 % similar
N,N′-Dicyclohexylcarbodiimide538-75-052 % similar
Cyclopentyl isocyanate4747-71-148 % similar
Cyclohexyl isocyanate3173-53-346 % similar
2-Isothiocyanatoheptane21663-51-445 % similar
Isopropyl isothiocyanate2253-73-839 % similar
sec-Butyl isothiocyanate4426-79-337 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.