(2S)-2-aminopropanethioic S-acid;hydrochloride

C3H8ClNOS — CID 88799460

IUPAC(2S)-2-aminopropanethioic S-acid;hydrochloride
SMILESC[C@H](N)C(=O)S.Cl
InChIInChI=1S/C3H7NOS.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H/t2-;/m0./s1
InChIKeyNZLSPRKMDVBOTD-DKWTVANSSA-N
MW141.62 g/mol
LogP0.21
Rot. Bonds1

About (2S)-2-aminopropanethioic S-acid;hydrochloride

(2S)-2-aminopropanethioic S-acid;hydrochloride (PubChem CID 88799460) has the molecular formula C3H8ClNOS and a molecular weight of 141.62 g/mol. Its IUPAC name is (2S)-2-aminopropanethioic S-acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-aminopropanethioic S-acid;hydrochloride
PubChem CID88799460
Molecular FormulaC3H8ClNOS
Molecular Weight141.62 g/mol
Exact Mass141.00
IUPAC Name(2S)-2-aminopropanethioic S-acid;hydrochloride
SMILESC[C@H](N)C(=O)S.Cl
InChIInChI=1S/C3H7NOS.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H/t2-;/m0./s1
InChIKeyNZLSPRKMDVBOTD-DKWTVANSSA-N
XLogP0.21
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.62
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-aminopropanethioic S-acid;oxalic acid
CID 162046267
2-aminopropanamide;dihydrochloride
CID 19963402
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
CID 175156691
CID 175156691
calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride
CID 173075158
2-aminopropanoate;hydron;hydrochloride
CID 173141944
(3S)-3-amino-2-methyl-4-oxo-4-sulfanylbutanoic acid
CID 87319713
(2S)-2-aminopropanoic acid;polane
CID 173022618
(2S)-2-aminopropanoate
CID 5460980
CID 86589108
CID 86589108

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanethioic S-acid;hydrochloride?
The IUPAC name of (2S)-2-aminopropanethioic S-acid;hydrochloride (CID 88799460) is (2S)-2-aminopropanethioic S-acid;hydrochloride.
What is the SMILES notation for (2S)-2-aminopropanethioic S-acid;hydrochloride?
The canonical SMILES for (2S)-2-aminopropanethioic S-acid;hydrochloride is C[C@H](N)C(=O)S.Cl.
What is the InChIKey of (2S)-2-aminopropanethioic S-acid;hydrochloride?
The InChIKey is NZLSPRKMDVBOTD-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NOS.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H/t2-;/m0./s1.
What are the key properties of (2S)-2-aminopropanethioic S-acid;hydrochloride?
(2S)-2-aminopropanethioic S-acid;hydrochloride has a molecular weight of 141.62 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanethioic S-acid;hydrochloride is sourced from PubChem (CID 88799460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).