Basic information
- CAS
40207-02-1- Standard SMILES
COc1ccccc1NC(=S)NN- InChIKey
ZZRBYYMDUDFTNR-UHFFFAOYSA-N- Molecular formula
- C8H11N3OS
- Average molar mass
- 197.26 g/mol
- Monoisotopic mass
- 197.06228316
Names & identifiers
- Preferred name
- 3-Amino-1-(2-methoxyphenyl)thiourea
- IUPAC
- 1-amino-3-(2-methoxyphenyl)thiourea
- English name
- 4-(2-Methoxyphenyl)-3-thiosemicarbazide
- Molecular formula
- C8H11N3OS
- Molecular weight
- 197.26
Names & synonyms
n-(2-methoxyphenyl)hydrazinecarbothioamide3-amino-1-(2-methoxyphenyl)thioureaRefChem:496731674-116-04-(2-Methoxyphenyl)-3-thiosemicarbazide40207-02-11-amino-3-(2-methoxyphenyl)thioureaMFCD00041276hydrazino[(2-methoxyphenyl)amino]methane-1-thioneSCHEMBL458174SCHEMBL29488200DTXSID90353158
Show more names
AKOS BBS-000005634-(o-Anisyl)-3-thiosemicarbazide2-METHOXYPHENYLTHIOSEMICARBAZIDE-(2-METHOXYPHENYL)-3-THIOSEMICARBAZIDEN-(2-METHOXYPHENYL)HYDRAZINE-1-CARBOTHIOAMIDEHydrazinecarbothioamide, N-(2-methoxyphenyl)-4-(4-methoxyphenyl)-2-thiophenecarboxylic acid
ZZRBYYMDUDFTNR-UHFFFAOYSA-NQBA20702SBB017752STL605638AKOS000122634BS-27976SY063409DB-015678
Database identifiers
- CAS
40207-02-1- PubChem CID
- 736992
- DTXSID
DTXSID90353158- EC Number
- 674-116-0
- Nikkaji
- J1.242.767K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 151 °C · 151 °C
- Boiling point
- 326.6 · 326.6±44.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- 10.36 · 10.36±0.70(Predicted)
- CAS DataBase Reference
- 40207 · 40207-02-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- HazardClass
- IRRITANT
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
H302 (66.7%): 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)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers29 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
2 records
Compound notes
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