4-Cyclohexyl-1-phenyl-3-thiosemicarbazide
Basic information
- CAS
27421-91-6- Standard SMILES
S=C(NNc1ccccc1)NC1CCCCC1- InChIKey
DCFLHKOWKJTAAZ-UHFFFAOYSA-N- Molecular formula
- C13H19N3S
- Average molar mass
- 249.38 g/mol
- Monoisotopic mass
- 249.12996879
Names & identifiers
- Preferred name
- 4-Cyclohexyl-1-phenyl-3-thiosemicarbazide
- IUPAC
- 1-anilino-3-cyclohexylthiourea
- English name
- 4-Cyclohexyl-1-phenylthiosemicarbazide
- Molecular formula
- C13H19N3S
- Molecular weight
- 249.38
Names & synonyms
4-CYCLOHEXYL-1-PHENYL-3-THIOSEMICARBAZIDERefChem:522321653-722-94-Cyclohexyl-1-phenylthiosemicarbazide27421-91-6N-Cyclohexyl-2-phenylhydrazinecarbothioamide1-anilino-3-cyclohexylthioureaNSC 148166ST033355(cyclohexylamino)(2-phenylhydrazino)methane-1-thioneNSC148166orb1222428
Show more names
Hydrazinecarbothioamide, N-cyclohexyl-2-phenyl-4 Cyclohexyl 1 phenylthiosemicarbazide,4Cyclohexyl1phenylthiosemicarbazide
orb1307596DTXSID503501481-anilino-3-cyclohexyl-isothioureaMFCD00087150AKOS024280568NSC-148166PD055900TS-08023
Database identifiers
- CAS
27421-91-6- PubChem CID
- 674716
- DTXSID
DTXSID50350148- EC Number
- 653-722-9
- Nikkaji
- J307.805A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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