CAS 102936-57-2 Cyclopentylthiourea (HCID 736945)

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Basic information

CAS: 102936-57-2
Standard SMILES: NC(=S)NC1CCCC1
InChIKey: VEJCUYXHMQFYGE-UHFFFAOYSA-N
Molecular formula: C6H12N2S
Average molar mass: 144.24 g/mol
Monoisotopic mass: 144.07211938

Names & identifiers

Preferred name: Cyclopentylthiourea
IUPAC: cyclopentylthiourea
English name: Cyclopentyl-thiourea
Molecular formula: C6H12N2S
Molecular weight: 144.24

Names & synonyms

cyclopentylthiourea102936-57-2DTXSID20353141RefChem:336118DTXCID70304204831-248-5Cyclopentyl-thioureaN-cyclopentylthiourea1-cyclopentylthioureaThiourea,N-cyclopentyl-MFCD01764323SCHEMBL1475935

Show more names

Thiourea, N-cyclopentyl-N-cyclopentylthiourea 97%

SCHEMBL1861370SCHEMBL8299523VEJCUYXHMQFYGE-UHFFFAOYSA-NHMS1783M03CEA93657STL412553AKOS000117226amino(cyclopentylamino)methane-1-thione

Database identifiers

CAS: 102936-57-2
PubChem CID: 736945
DTXSID: DTXSID20353141
EC Number: 831-248-5

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 70.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 164 · 164-165°
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H312-H315-H302-H335-H332
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2930909899 · 2930909899

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2930909899
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H312-H315-H302-H335-H332
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362