Basic information
- CAS
34250-61-8- Standard SMILES
CCOc1ccc(N)c(S)c1- InChIKey
KWCYELBAYUBCNS-UHFFFAOYSA-N- Molecular formula
- C8H11NOS
- Average molar mass
- 169.25 g/mol
- Monoisotopic mass
- 169.05613515
Names & identifiers
- Preferred name
- 2-Amino-5-ethoxybenzenethiol
- IUPAC
- 2-amino-5-ethoxybenzenethiol
- English name
- 5-Ethoxy-2-aminobenzenethiol
- Molecular formula
- C8H11NOS
- Molecular weight
- 169.24
Names & synonyms
2-amino-5-ethoxybenzenethiol34250-61-8DTXSID30328688RefChem:255698DTXCID002797942-amino-5-ethoxybenzene-1-thiol5-Ethoxy-2-aminobenzenethiolBenzenethiol, 2-amino-5-ethoxy-Oprea1_2111722-amino-5-ethoxy-benzenethiolSCHEMBL1745348AKOS008967504
Show more names
2-amino-5-ethoxy-o-benzenethiol
EN300-54430F0243-0018
Database identifiers
- CAS
34250-61-8- PubChem CID
- 413137
- DTXSID
DTXSID30328688- Nikkaji
- J28.467J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 92 · 92-94 °C
- Boiling point
- 302.3 · 302.3±22.0 °C(Predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
- pka
- 9.07 · 9.07±0.10(Predicted)
Chemistry & industry
Suppliers4 total
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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