2-amino-3-sulfanylpropanoic acid chloride

C3H7ClNO2S- — CID 22609099

IUPAC2-amino-3-sulfanylpropanoic acid chloride
SMILESNC(CS)C(=O)O.[Cl-]
InChIInChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/p-1
InChIKeyIFQSXNOEEPCSLW-UHFFFAOYSA-M
MW156.61 g/mol
LogP-3.67
Rot. Bonds2

About 2-amino-3-sulfanylpropanoic acid chloride

2-amino-3-sulfanylpropanoic acid chloride (PubChem CID 22609099) has the molecular formula C3H7ClNO2S- and a molecular weight of 156.61 g/mol. Its IUPAC name is 2-amino-3-sulfanylpropanoic acid chloride.

Molecular Properties

Compound Name2-amino-3-sulfanylpropanoic acid chloride
PubChem CID22609099
Molecular FormulaC3H7ClNO2S-
Molecular Weight156.61 g/mol
Exact Mass155.99
IUPAC Name2-amino-3-sulfanylpropanoic acid chloride
SMILESNC(CS)C(=O)O.[Cl-]
InChIInChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/p-1
InChIKeyIFQSXNOEEPCSLW-UHFFFAOYSA-M
XLogP-3.67
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 5-3.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
CID 87623250
CID 87623250
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911
(2S)-2-amino-3-sulfanylpropanoic acid;methane;hydrochloride
CID 87203931
sodium;2-amino-3-sulfanylpropanoic acid;hydride
CID 173209935
zinc;(2R)-2-amino-3-sulfanylpropanoic acid;oxygen(2-)
CID 157249919
calcium;(2R)-2-amino-3-sulfanylpropanoic acid;carbonate
CID 161349060
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-sulfanylpropanoic acid chloride?
The IUPAC name of 2-amino-3-sulfanylpropanoic acid chloride (CID 22609099) is 2-amino-3-sulfanylpropanoic acid chloride.
What is the SMILES notation for 2-amino-3-sulfanylpropanoic acid chloride?
The canonical SMILES for 2-amino-3-sulfanylpropanoic acid chloride is NC(CS)C(=O)O.[Cl-].
What is the InChIKey of 2-amino-3-sulfanylpropanoic acid chloride?
The InChIKey is IFQSXNOEEPCSLW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/p-1.
What are the key properties of 2-amino-3-sulfanylpropanoic acid chloride?
2-amino-3-sulfanylpropanoic acid chloride has a molecular weight of 156.61 g/mol, XLogP of -3.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-sulfanylpropanoic acid chloride is sourced from PubChem (CID 22609099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).