2-amino-3-sulfanylpropanoyl chloride

C3H6ClNOS — CID 23199161

IUPAC2-amino-3-sulfanylpropanoyl chloride
SMILESNC(CS)C(=O)Cl
InChIInChI=1S/C3H6ClNOS/c4-3(6)2(5)1-7/h2,7H,1,5H2
InChIKeyLXWQKLVAJOMMSN-UHFFFAOYSA-N
MW139.61 g/mol
LogP0.01
Rot. Bonds2

About 2-amino-3-sulfanylpropanoyl chloride

2-amino-3-sulfanylpropanoyl chloride (PubChem CID 23199161) has the molecular formula C3H6ClNOS and a molecular weight of 139.61 g/mol. Its IUPAC name is 2-amino-3-sulfanylpropanoyl chloride.

Molecular Properties

Compound Name2-amino-3-sulfanylpropanoyl chloride
PubChem CID23199161
Molecular FormulaC3H6ClNOS
Molecular Weight139.61 g/mol
Exact Mass138.99
IUPAC Name2-amino-3-sulfanylpropanoyl chloride
SMILESNC(CS)C(=O)Cl
InChIInChI=1S/C3H6ClNOS/c4-3(6)2(5)1-7/h2,7H,1,5H2
InChIKeyLXWQKLVAJOMMSN-UHFFFAOYSA-N
XLogP0.01
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.61
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
tris(2-amino-3-sulfanylpropanoate);arsenic(3+)
CID 73294154
(3R)-3-amino-2-oxo-4-sulfanylbutanoic acid
CID 87166962
sodium;2-amino-3-sulfanylpropanoic acid;hydride
CID 173209935
(2R)-2-amino-3-sulfanylpropaneperoxoic acid
CID 91512911

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-sulfanylpropanoyl chloride?
The IUPAC name of 2-amino-3-sulfanylpropanoyl chloride (CID 23199161) is 2-amino-3-sulfanylpropanoyl chloride.
What is the SMILES notation for 2-amino-3-sulfanylpropanoyl chloride?
The canonical SMILES for 2-amino-3-sulfanylpropanoyl chloride is NC(CS)C(=O)Cl.
What is the InChIKey of 2-amino-3-sulfanylpropanoyl chloride?
The InChIKey is LXWQKLVAJOMMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClNOS/c4-3(6)2(5)1-7/h2,7H,1,5H2.
What are the key properties of 2-amino-3-sulfanylpropanoyl chloride?
2-amino-3-sulfanylpropanoyl chloride has a molecular weight of 139.61 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-sulfanylpropanoyl chloride is sourced from PubChem (CID 23199161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).