2-amino-3-(2-methoxyethyl)benzenethiol

C9H13NOS — CID 102908639

IUPAC2-amino-3-(2-methoxyethyl)benzenethiol
SMILESCOCCc1cccc(S)c1N
InChIInChI=1S/C9H13NOS/c1-11-6-5-7-3-2-4-8(12)9(7)10/h2-4,12H,5-6,10H2,1H3
InChIKeyOXQMXBSKQQLQAM-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.75
Rot. Bonds3

About 2-amino-3-(2-methoxyethyl)benzenethiol

2-amino-3-(2-methoxyethyl)benzenethiol (PubChem CID 102908639) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-amino-3-(2-methoxyethyl)benzenethiol.

Molecular Properties

Compound Name2-amino-3-(2-methoxyethyl)benzenethiol
PubChem CID102908639
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-amino-3-(2-methoxyethyl)benzenethiol
SMILESCOCCc1cccc(S)c1N
InChIInChI=1S/C9H13NOS/c1-11-6-5-7-3-2-4-8(12)9(7)10/h2-4,12H,5-6,10H2,1H3
InChIKeyOXQMXBSKQQLQAM-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde
CID 154402292
2,3-bis(2-methoxyethyl)benzamide
CID 140931342
2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
CID 102907729
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbenzamide
CID 102903119
8-(2-methoxyethyl)quinolin-4-amine
CID 102908049
2-(2-methoxyethyl)benzene-1,3-diol
CID 54168621
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-bromo-4-[2-(2-methoxyethyl)phenyl]butan-2-one
CID 102908193
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate
CID 70579626
methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
CID 102905002

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxyethyl)benzenethiol?
The IUPAC name of 2-amino-3-(2-methoxyethyl)benzenethiol (CID 102908639) is 2-amino-3-(2-methoxyethyl)benzenethiol.
What is the SMILES notation for 2-amino-3-(2-methoxyethyl)benzenethiol?
The canonical SMILES for 2-amino-3-(2-methoxyethyl)benzenethiol is COCCc1cccc(S)c1N.
What is the InChIKey of 2-amino-3-(2-methoxyethyl)benzenethiol?
The InChIKey is OXQMXBSKQQLQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-11-6-5-7-3-2-4-8(12)9(7)10/h2-4,12H,5-6,10H2,1H3.
What are the key properties of 2-amino-3-(2-methoxyethyl)benzenethiol?
2-amino-3-(2-methoxyethyl)benzenethiol has a molecular weight of 183.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methoxyethyl)benzenethiol is sourced from PubChem (CID 102908639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).