2-amino-3,6-diethoxybenzenethiol

C10H15NO2S — CID 65053438

IUPAC2-amino-3,6-diethoxybenzenethiol
SMILESCCOc1ccc(OCC)c(S)c1N
InChIInChI=1S/C10H15NO2S/c1-3-12-7-5-6-8(13-4-2)10(14)9(7)11/h5-6,14H,3-4,11H2,1-2H3
InChIKeyKGPBXBQULBJQIT-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-3,6-diethoxybenzenethiol

2-amino-3,6-diethoxybenzenethiol (PubChem CID 65053438) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-amino-3,6-diethoxybenzenethiol.

Molecular Properties

Compound Name2-amino-3,6-diethoxybenzenethiol
PubChem CID65053438
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-amino-3,6-diethoxybenzenethiol
SMILESCCOc1ccc(OCC)c(S)c1N
InChIInChI=1S/C10H15NO2S/c1-3-12-7-5-6-8(13-4-2)10(14)9(7)11/h5-6,14H,3-4,11H2,1-2H3
InChIKeyKGPBXBQULBJQIT-UHFFFAOYSA-N
XLogP2.35
TPSA44.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-4-ethoxyphenyl)tellanyl-2-ethoxyaniline
CID 139266329
2-bromo-6-ethoxybenzenethiol
CID 91874370
3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine
CID 113392453
1-(2-amino-3-ethoxyphenyl)propan-2-one
CID 118841297
(2-amino-3-ethoxyphenyl)boronic acid
CID 68788606
2-ethoxy-5-methylsulfanylaniline
CID 97035048
6-bromo-2-chloro-3-ethoxyaniline
CID 118418845
3-ethoxy-2-sulfanylbenzonitrile
CID 91874372
1-(3-amino-4-ethoxyphenyl)propan-2-one
CID 54371004
2-amino-3-ethoxybenzonitrile
CID 82014474
5-(difluoromethyl)-2-ethoxyaniline
CID 130524156
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-diethoxybenzenethiol?
The IUPAC name of 2-amino-3,6-diethoxybenzenethiol (CID 65053438) is 2-amino-3,6-diethoxybenzenethiol.
What is the SMILES notation for 2-amino-3,6-diethoxybenzenethiol?
The canonical SMILES for 2-amino-3,6-diethoxybenzenethiol is CCOc1ccc(OCC)c(S)c1N.
What is the InChIKey of 2-amino-3,6-diethoxybenzenethiol?
The InChIKey is KGPBXBQULBJQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-12-7-5-6-8(13-4-2)10(14)9(7)11/h5-6,14H,3-4,11H2,1-2H3.
What are the key properties of 2-amino-3,6-diethoxybenzenethiol?
2-amino-3,6-diethoxybenzenethiol has a molecular weight of 213.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-diethoxybenzenethiol is sourced from PubChem (CID 65053438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).