2-amino-1-(1-benzothiophen-3-yl)ethanethiol

C10H11NS2 — CID 116868698

IUPAC2-amino-1-(1-benzothiophen-3-yl)ethanethiol
SMILESNCC(S)c1csc2ccccc12
InChIInChI=1S/C10H11NS2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6,9,12H,5,11H2
InChIKeyWGSLPDVYWOIELQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.83
Rot. Bonds2

About 2-amino-1-(1-benzothiophen-3-yl)ethanethiol

2-amino-1-(1-benzothiophen-3-yl)ethanethiol (PubChem CID 116868698) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-amino-1-(1-benzothiophen-3-yl)ethanethiol.

Molecular Properties

Compound Name2-amino-1-(1-benzothiophen-3-yl)ethanethiol
PubChem CID116868698
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name2-amino-1-(1-benzothiophen-3-yl)ethanethiol
SMILESNCC(S)c1csc2ccccc12
InChIInChI=1S/C10H11NS2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6,9,12H,5,11H2
InChIKeyWGSLPDVYWOIELQ-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274
3-(dibromomethyl)-1-benzothiophene
CID 175195145
1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine
CID 62698680
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine
CID 116937094
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
1-(1-benzothiophen-3-yl)-3-sulfanylpropan-1-ol
CID 116831065
2-(azepan-1-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 55108750

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-benzothiophen-3-yl)ethanethiol?
The IUPAC name of 2-amino-1-(1-benzothiophen-3-yl)ethanethiol (CID 116868698) is 2-amino-1-(1-benzothiophen-3-yl)ethanethiol.
What is the SMILES notation for 2-amino-1-(1-benzothiophen-3-yl)ethanethiol?
The canonical SMILES for 2-amino-1-(1-benzothiophen-3-yl)ethanethiol is NCC(S)c1csc2ccccc12.
What is the InChIKey of 2-amino-1-(1-benzothiophen-3-yl)ethanethiol?
The InChIKey is WGSLPDVYWOIELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6,9,12H,5,11H2.
What are the key properties of 2-amino-1-(1-benzothiophen-3-yl)ethanethiol?
2-amino-1-(1-benzothiophen-3-yl)ethanethiol has a molecular weight of 209.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-benzothiophen-3-yl)ethanethiol is sourced from PubChem (CID 116868698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).