Basic information
- CAS
145736-65-8- Standard SMILES
COc1ccc(CC(N)=S)cc1OC- InChIKey
NUJVMJMQHGZBDK-UHFFFAOYSA-N- Molecular formula
- C10H13NO2S
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.06669966
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxyphenyl)ethanethioamide
- IUPAC
- 2-(3,4-dimethoxyphenyl)ethanethioamide
- English name
- 3,4-Dimethoxyphenyl-thioacetamide
- Molecular formula
- C10H13NO2S
- Molecular weight
- 211.28
Names & synonyms
145736-65-82-(3,4-dimethoxyphenyl)ethanethioamideDTXSID90370522RefChem:251234DTXCID703215573,4-dimethoxyphenylthioacetamide2-(3,4-dimethoxy)thioacetamide3,4-dimethoxyphenyl-thioacetamideBenzeneethanethioamide, 3,4-dimethoxy-MFCD04973333Benzeneethanethioamide,3,4-dimethoxy-2-(3,4-dimethoxyphenyl)-thioacetamide
Show more names
2-(3,4-DIMETHOXY)-THIOACETAMIDE3,4-Dimethoxybenzeneethanethioamide3,4-Dimethoxyphenylthioacetamide,98%
VFA73665(3,4-Dimethoxyphenyl)ethanethioamide2-(3,4-dimethoxyphenyl)thioacetamideAKOS000199052AS-44313DB-042804CS-0216153ST51042063
Database identifiers
- CAS
145736-65-8- PubChem CID
- 2734829
- DTXSID
DTXSID90370522- EC Number
- 674-622-1
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 135 · 135-138 °C
- Boiling point
- 348 · 348.0±52.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 12.94 · 12.94±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H335-H332-H312
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-20/22
- Safety Statements
- 37 · 37/39-26
- HS Code
- 29309090 · 29309090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29309090
- risk_code
- 36/37/38-20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 37/39-26
- Hazard statements
- H315-H302-H319-H335-H332-H312
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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