2-(2-aminoanilino)ethanethiol

C8H12N2S — CID 10773435

IUPAC2-(2-aminoanilino)ethanethiol
SMILESNc1ccccc1NCCS
InChIInChI=1S/C8H12N2S/c9-7-3-1-2-4-8(7)10-5-6-11/h1-4,10-11H,5-6,9H2
InChIKeyRSHDIRYSULNLDY-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.61
Rot. Bonds3

About 2-(2-aminoanilino)ethanethiol

2-(2-aminoanilino)ethanethiol (PubChem CID 10773435) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(2-aminoanilino)ethanethiol.

Molecular Properties

Compound Name2-(2-aminoanilino)ethanethiol
PubChem CID10773435
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-(2-aminoanilino)ethanethiol
SMILESNc1ccccc1NCCS
InChIInChI=1S/C8H12N2S/c9-7-3-1-2-4-8(7)10-5-6-11/h1-4,10-11H,5-6,9H2
InChIKeyRSHDIRYSULNLDY-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.61
H-Bond Donors ≤ 53
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

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2-N-pent-4-ynylbenzene-1,2-diamine
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2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787
2-N-(3-methylsulfonylpropyl)benzene-1,2-diamine
CID 18334911
2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine
CID 115124545
2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine
CID 62636793
N'-[2-(2-aminoanilino)ethyl]ethanimidamide
CID 70070039
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
CID 22184577
2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62975524
2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione
CID 54544953

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoanilino)ethanethiol?
The IUPAC name of 2-(2-aminoanilino)ethanethiol (CID 10773435) is 2-(2-aminoanilino)ethanethiol.
What is the SMILES notation for 2-(2-aminoanilino)ethanethiol?
The canonical SMILES for 2-(2-aminoanilino)ethanethiol is Nc1ccccc1NCCS.
What is the InChIKey of 2-(2-aminoanilino)ethanethiol?
The InChIKey is RSHDIRYSULNLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c9-7-3-1-2-4-8(7)10-5-6-11/h1-4,10-11H,5-6,9H2.
What are the key properties of 2-(2-aminoanilino)ethanethiol?
2-(2-aminoanilino)ethanethiol has a molecular weight of 168.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoanilino)ethanethiol is sourced from PubChem (CID 10773435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).