Basic information
- CAS
871548-20-8- Standard SMILES
CCc1cccc(C)c1NC(N)=S- InChIKey
NOTVQPRXZSXDAY-UHFFFAOYSA-N- Molecular formula
- C10H14N2S
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.08776963
Names & identifiers
- Preferred name
- (2-Ethyl-6-methylphenyl)thiourea
- IUPAC
- (2-ethyl-6-methylphenyl)thiourea
- English name
- (2-ethyl-6-methylphenyl)thiourea
- Molecular formula
- C10H14N2S
- Molecular weight
- 194.3
Names & synonyms
(2-ethyl-6-methylphenyl)thiourea871548-20-8N-(2-ethyl-6-methylphenyl)thioureaSCHEMBL5520049NOTVQPRXZSXDAY-UHFFFAOYSA-N1-(2-ethyl-6-methylphenyl)thioureaAKOS009037272EN300-14925G36654Z111411718Thiourea, N-(2-ethyl-6-methylphenyl)-
Database identifiers
- CAS
871548-20-8- PubChem CID
- 7064048
- EC Number
- 118-537-5
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 301.6 · 301.6±52.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- pka
- 13.15 · 13.15±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger 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+P316, 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. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
12 records
Compound notes
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