Basic information
- CAS
35370-95-7- Standard SMILES
NC(=S)COc1cccc(Cl)c1- InChIKey
RPAOLVIADVQKNA-UHFFFAOYSA-N- Molecular formula
- C8H8ClNOS
- Average molar mass
- 201.67 g/mol
- Monoisotopic mass
- 201.00151256
Names & identifiers
- Preferred name
- 2-(3-Chlorophenoxy)ethanethioamide
- IUPAC
- 2-(3-chlorophenoxy)ethanethioamide
- English name
- 2-(3-Chlorophenoxy)ethanethioamide
- Molecular formula
- C8H8ClNOS
- Molecular weight
- 201.67
Names & synonyms
2-(3-Chlorophenoxy)ethanethioamide35370-95-7MFCD000524792-(3-Chlorophenoxy)thioacetamide1-amino-2-(3-chlorophenoxy)ethane-1-thioneMaybridge1_0085293-chlorophenoxy thioacetamideorb3031073SCHEMBL7842545(3-Chlorophenoxy)ethanethioamideHMS565L15DTXSID40372490
Show more names
BUTTPARK 94\57-102-(3-CHLOROPHENOXY)THIOACETAMIDE 99%Ethanethioamide, 2-(3-chlorophenoxy)-2-(3-Chlorophenoxy)ethanethioamide, 95+%
Fr12952SBB0928312-(3-Chlorophenoxy)ethanethioamide #AKOS000185155CCG-2553312-(3-chlorophenoxy)ethanimidothioic acidMS-22096ST51007181
Database identifiers
- CAS
35370-95-7- PubChem CID
- 2743553
- DTXSID
DTXSID40372490
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 122 · 122-124
- Boiling point
- 338.6 · 338.6±48.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 12.51 · 12.51±0.29(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-43-36
- Safety Statements
- 26 · 26-36/37/39-36/37
Safety & regulation
Safety data
- risk_code
- 36/37/38-43-36
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36/37
Chemistry & industry
Suppliers9 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
2 records
Compound notes
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