Basic information
- CAS
14327-04-9- Standard SMILES
CC(C)(C)NC(=S)Nc1ccccc1- InChIKey
JHMCTNQTJNGVRX-UHFFFAOYSA-N- Molecular formula
- C11H16N2S
- Average molar mass
- 208.33 g/mol
- Monoisotopic mass
- 208.10341969
Names & identifiers
- Preferred name
- Thiourea, N-(1,1-dimethylethyl)-N'-phenyl-
- IUPAC
- 1-tert-butyl-3-phenylthiourea
- English name
- 1-tert-Butyl-3-phenylthiourea
- Molecular formula
- C11H16N2S
- Molecular weight
- 208.32
Names & synonyms
14327-04-9Thiourea, N-(1,1-dimethylethyl)-N'-phenyl-DTXSID20162376NSC 131985RefChem:189667DTXCID9084867JHMCTNQTJNGVRX-UHFFFAOYSA-N1-tert-butyl-3-phenylthiourea1-(tert-Butyl)-3-phenylthiourea3-TERT-BUTYL-1-PHENYLTHIOUREAUrea, 1-tert-butyl-3-phenyl-2-thio-[(tert-butyl)amino](phenylamino)methane-1-thione
Show more names
N-TERTIARY BUTYL-N''-PHENYLTHIOUREA1-(1,1-Dimethylethyl)-3-phenylthioureaN-(1,1-Dimethylethyl)-N'-phenylthiourea
Thiourea,N-(1,1-dimethylethyl)-N'-phenyl-NSC131985CBMicro_003817N-tert-Butyl-N'-phenylthioureaSCHEMBL3067730N-phenyl-N'-(t-butyl) thiourea3-tert-butyl-1-phenyl-isothioureaSMSF0003195
Database identifiers
- CAS
14327-04-9- PubChem CID
- 698362
- DTXSID
DTXSID20162376- Nikkaji
- J117.419C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- NIST Chemistry Reference
- Thiourea, N-(1,1-dimethylethyl)-N'-phenyl-(14327-04-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers5 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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