2-aminoethanethiol;dichloromethane

C3H9Cl2NS — CID 174817239

IUPAC2-aminoethanethiol;dichloromethane
SMILESClCCl.NCCS
InChIInChI=1S/C2H7NS.CH2Cl2/c3-1-2-4;2-1-3/h4H,1-3H2;1H2
InChIKeyOERTZAXGRUQTEW-UHFFFAOYSA-N
MW162.08 g/mol
LogP1.30
Rot. Bonds1

About 2-aminoethanethiol;dichloromethane

2-aminoethanethiol;dichloromethane (PubChem CID 174817239) has the molecular formula C3H9Cl2NS and a molecular weight of 162.08 g/mol. Its IUPAC name is 2-aminoethanethiol;dichloromethane.

Molecular Properties

Compound Name2-aminoethanethiol;dichloromethane
PubChem CID174817239
Molecular FormulaC3H9Cl2NS
Molecular Weight162.08 g/mol
Exact Mass160.98
IUPAC Name2-aminoethanethiol;dichloromethane
SMILESClCCl.NCCS
InChIInChI=1S/C2H7NS.CH2Cl2/c3-1-2-4;2-1-3/h4H,1-3H2;1H2
InChIKeyOERTZAXGRUQTEW-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-aminoethanethiol;dichloromethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-aminoethanethiol);nickel(2+)
CID 19773887
2-aminoethanethiol;urea;hydrochloride
CID 175056762
acetaldehyde;2-aminoethanethiol
CID 159451967
sodium;2-aminoethanethiol;phosphoric acid
CID 23615661
2-chloroethanethiol;1-chloropropane
CID 142174874
bis(3-aminopropane-1-thiol);hydrate
CID 18625286
2-aminoethanol;dichloromethane;hydrate
CID 172994992
2-chloroethanamine;methane
CID 174938218
6-aminohexane-1-thiol
CID 12841471
33-aminotritriacontane-1-thiol
CID 87682293
2-chloro-2,2-dideuterioethanamine
CID 10534652
azane;chloromethanethiol
CID 156690600

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol;dichloromethane?
The IUPAC name of 2-aminoethanethiol;dichloromethane (CID 174817239) is 2-aminoethanethiol;dichloromethane.
What is the SMILES notation for 2-aminoethanethiol;dichloromethane?
The canonical SMILES for 2-aminoethanethiol;dichloromethane is ClCCl.NCCS.
What is the InChIKey of 2-aminoethanethiol;dichloromethane?
The InChIKey is OERTZAXGRUQTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.CH2Cl2/c3-1-2-4;2-1-3/h4H,1-3H2;1H2.
What are the key properties of 2-aminoethanethiol;dichloromethane?
2-aminoethanethiol;dichloromethane has a molecular weight of 162.08 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiol;dichloromethane is sourced from PubChem (CID 174817239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).