Basic information
- CAS
870862-28-5- Standard SMILES
NC(=S)C1(c2ccccc2)CC1- InChIKey
LBHVAPBTHOCEEZ-UHFFFAOYSA-N- Molecular formula
- C10H11NS
- Average molar mass
- 177.27 g/mol
- Monoisotopic mass
- 177.06122053
Names & identifiers
- Preferred name
- 1-Phenylcyclopropane-1-carbothioamide
- IUPAC
- 1-phenylcyclopropane-1-carbothioamide
Names & synonyms
1-Phenylcyclopropane-1-carbothioamide870862-28-5RefChem:435695849-718-31-phenylcyclopropanecarbothioamideSCHEMBL5055163LBHVAPBTHOCEEZ-UHFFFAOYSA-NVJB86228AKOS0123796231-phenyl-cyclopropanecarbothioic acid amideEN300-1862468
Database identifiers
- CAS
870862-28-5- PubChem CID
- 16093531
- EC Number
- 849-718-3
- Nikkaji
- J2.246.158C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
3 records
Compound notes
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