2-sulfanylacetic acid;hydrochloride

C2H5ClO2S — CID 87316601

IUPAC2-sulfanylacetic acid;hydrochloride
SMILESCl.O=C(O)CS
InChIInChI=1S/C2H4O2S.ClH/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H
InChIKeyXJWFBRZKFGEQND-UHFFFAOYSA-N
MW128.58 g/mol
LogP0.42
Rot. Bonds1

About 2-sulfanylacetic acid;hydrochloride

2-sulfanylacetic acid;hydrochloride (PubChem CID 87316601) has the molecular formula C2H5ClO2S and a molecular weight of 128.58 g/mol. Its IUPAC name is 2-sulfanylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-sulfanylacetic acid;hydrochloride
PubChem CID87316601
Molecular FormulaC2H5ClO2S
Molecular Weight128.58 g/mol
Exact Mass127.97
IUPAC Name2-sulfanylacetic acid;hydrochloride
SMILESCl.O=C(O)CS
InChIInChI=1S/C2H4O2S.ClH/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H
InChIKeyXJWFBRZKFGEQND-UHFFFAOYSA-N
XLogP0.42
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.58
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cobalt;2-sulfanylacetic acid
CID 88801503
CID 57473469
CID 57473469
manganese;2-sulfanylacetic acid
CID 175094975
ethane-1,2-dithiol;bis(2-sulfanylacetic acid)
CID 19352306
strontium;hydride;2-sulfanylacetic acid
CID 173001383
2-chloroacetic acid;2-sulfanylacetic acid
CID 141375176
2-oxo-2-sulfanylacetic acid;2-sulfanylacetic acid
CID 87248159
ethane-1,2-diamine;2-sulfanylacetic acid
CID 161137950
ethane-1,2-diol;bis(2-sulfanylacetic acid);hydrate
CID 175262329
2-sulfanylacetic acid;sulfurous acid
CID 163597017
1,3-dihydroxypropan-2-one;bis(2-sulfanylacetic acid)
CID 88802606
2,2-bis(hydroxymethyl)propane-1,3-diol;2-sulfanylacetic acid
CID 87122527

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylacetic acid;hydrochloride?
The IUPAC name of 2-sulfanylacetic acid;hydrochloride (CID 87316601) is 2-sulfanylacetic acid;hydrochloride.
What is the SMILES notation for 2-sulfanylacetic acid;hydrochloride?
The canonical SMILES for 2-sulfanylacetic acid;hydrochloride is Cl.O=C(O)CS.
What is the InChIKey of 2-sulfanylacetic acid;hydrochloride?
The InChIKey is XJWFBRZKFGEQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S.ClH/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H.
What are the key properties of 2-sulfanylacetic acid;hydrochloride?
2-sulfanylacetic acid;hydrochloride has a molecular weight of 128.58 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylacetic acid;hydrochloride is sourced from PubChem (CID 87316601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).