2-aminoethanethiol;urea;hydrochloride

C3H12ClN3OS — CID 175056762

IUPAC2-aminoethanethiol;urea;hydrochloride
SMILESCl.NC(N)=O.NCCS
InChIInChI=1S/C2H7NS.CH4N2O.ClH/c3-1-2-4;2-1(3)4;/h4H,1-3H2;(H4,2,3,4);1H
InChIKeyMASGPIVTGWQSEU-UHFFFAOYSA-N
MW173.67 g/mol
LogP-0.68
Rot. Bonds1

About 2-aminoethanethiol;urea;hydrochloride

2-aminoethanethiol;urea;hydrochloride (PubChem CID 175056762) has the molecular formula C3H12ClN3OS and a molecular weight of 173.67 g/mol. Its IUPAC name is 2-aminoethanethiol;urea;hydrochloride.

Molecular Properties

Compound Name2-aminoethanethiol;urea;hydrochloride
PubChem CID175056762
Molecular FormulaC3H12ClN3OS
Molecular Weight173.67 g/mol
Exact Mass173.04
IUPAC Name2-aminoethanethiol;urea;hydrochloride
SMILESCl.NC(N)=O.NCCS
InChIInChI=1S/C2H7NS.CH4N2O.ClH/c3-1-2-4;2-1(3)4;/h4H,1-3H2;(H4,2,3,4);1H
InChIKeyMASGPIVTGWQSEU-UHFFFAOYSA-N
XLogP-0.68
TPSA95.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 159451967
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CID 161137950
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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol;urea;hydrochloride?
The IUPAC name of 2-aminoethanethiol;urea;hydrochloride (CID 175056762) is 2-aminoethanethiol;urea;hydrochloride.
What is the SMILES notation for 2-aminoethanethiol;urea;hydrochloride?
The canonical SMILES for 2-aminoethanethiol;urea;hydrochloride is Cl.NC(N)=O.NCCS.
What is the InChIKey of 2-aminoethanethiol;urea;hydrochloride?
The InChIKey is MASGPIVTGWQSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.CH4N2O.ClH/c3-1-2-4;2-1(3)4;/h4H,1-3H2;(H4,2,3,4);1H.
What are the key properties of 2-aminoethanethiol;urea;hydrochloride?
2-aminoethanethiol;urea;hydrochloride has a molecular weight of 173.67 g/mol, XLogP of -0.68, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiol;urea;hydrochloride is sourced from PubChem (CID 175056762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).