CID 87623250

C3H7MgNO2S — CID 87623250

IUPAC—
SMILESN[C@@H](CS)C(=O)O.[Mg]
InChIInChI=1S/C3H7NO2S.Mg/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);/t2-;/m0./s1
InChIKeyHTVUFSWXPBPWAO-DKWTVANSSA-N
MW145.47 g/mol
LogP-1.05
Rot. Bonds2

About CID 87623250

CID 87623250 (PubChem CID 87623250) has the molecular formula C3H7MgNO2S and a molecular weight of 145.47 g/mol.

Molecular Properties

Compound NameCID 87623250
PubChem CID87623250
Molecular FormulaC3H7MgNO2S
Molecular Weight145.47 g/mol
Exact Mass145.00
IUPAC Name—
SMILESN[C@@H](CS)C(=O)O.[Mg]
InChIInChI=1S/C3H7NO2S.Mg/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);/t2-;/m0./s1
InChIKeyHTVUFSWXPBPWAO-DKWTVANSSA-N
XLogP-1.05
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.47
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 87623250 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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
sodium;2-amino-3-sulfanylpropanoic acid;hydride
CID 173209935
zinc;(2R)-2-amino-3-sulfanylpropanoic acid;oxygen(2-)
CID 157249919
(2S)-2-amino-3-sulfanylpropanoic acid;methane;hydrochloride
CID 87203931
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256
calcium;(2R)-2-amino-3-sulfanylpropanoic acid;carbonate
CID 161349060

Frequently Asked Questions

What is the IUPAC name of CID 87623250?
The IUPAC name of CID 87623250 (CID 87623250) is not available.
What is the SMILES notation for CID 87623250?
The canonical SMILES for CID 87623250 is N[C@@H](CS)C(=O)O.[Mg].
What is the InChIKey of CID 87623250?
The InChIKey is HTVUFSWXPBPWAO-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO2S.Mg/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);/t2-;/m0./s1.
What are the key properties of CID 87623250?
CID 87623250 has a molecular weight of 145.47 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87623250 is sourced from PubChem (CID 87623250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).