CID 69459233

C4H3LiNO2S — CID 69459233

IUPAC—
SMILESO=C(O)c1nccs1.[Li]
InChIInChI=1S/C4H3NO2S.Li/c6-4(7)3-5-1-2-8-3;/h1-2H,(H,6,7);
InChIKeyWJUVQBYDRDZMQL-UHFFFAOYSA-N
MW136.08 g/mol
LogP0.46
Rot. Bonds1

About CID 69459233

CID 69459233 (PubChem CID 69459233) has the molecular formula C4H3LiNO2S and a molecular weight of 136.08 g/mol.

Molecular Properties

Compound NameCID 69459233
PubChem CID69459233
Molecular FormulaC4H3LiNO2S
Molecular Weight136.08 g/mol
Exact Mass136.00
IUPAC Name—
SMILESO=C(O)c1nccs1.[Li]
InChIInChI=1S/C4H3NO2S.Li/c6-4(7)3-5-1-2-8-3;/h1-2H,(H,6,7);
InChIKeyWJUVQBYDRDZMQL-UHFFFAOYSA-N
XLogP0.46
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.08
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;hydride;1,3-thiazole-2-carboxylic acid
CID 174946287
carbanide;1,3-thiazole-2-carbonylazanide;tungsten(2+)
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N-(aminomethyl)-1,3-thiazole-2-carboxamide
CID 123824838
2-chloro-1-(1,3-thiazol-2-yl)ethanone
CID 22498777
(E)-3-hydroxy-1-(1,3-thiazol-2-yl)prop-2-en-1-one
CID 64993709
N-(2-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 110467924
2-(1,3-thiazol-2-yl)prop-2-enehydrazide
CID 146268564
4,4-difluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione
CID 64993249
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
hydroxymethyl 1,3-thiazole-2-carboxylate
CID 145074713
2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone
CID 160500283
2-(2-hydroxyethylamino)-1-(1,3-thiazol-2-yl)ethanone
CID 66568954

Frequently Asked Questions

What is the IUPAC name of CID 69459233?
The IUPAC name of CID 69459233 (CID 69459233) is not available.
What is the SMILES notation for CID 69459233?
The canonical SMILES for CID 69459233 is O=C(O)c1nccs1.[Li].
What is the InChIKey of CID 69459233?
The InChIKey is WJUVQBYDRDZMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2S.Li/c6-4(7)3-5-1-2-8-3;/h1-2H,(H,6,7);.
What are the key properties of CID 69459233?
CID 69459233 has a molecular weight of 136.08 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69459233 is sourced from PubChem (CID 69459233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).