1,3-thiazol-5-ylsulfanylformic acid

C4H3NO2S2 — CID 88804880

IUPAC1,3-thiazol-5-ylsulfanylformic acid
SMILESO=C(O)Sc1cncs1
InChIInChI=1S/C4H3NO2S2/c6-4(7)9-3-1-5-2-8-3/h1-2H,(H,6,7)
InChIKeyGURWGVRJRNOREG-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.91
Rot. Bonds1

About 1,3-thiazol-5-ylsulfanylformic acid

1,3-thiazol-5-ylsulfanylformic acid (PubChem CID 88804880) has the molecular formula C4H3NO2S2 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1,3-thiazol-5-ylsulfanylformic acid.

Molecular Properties

Compound Name1,3-thiazol-5-ylsulfanylformic acid
PubChem CID88804880
Molecular FormulaC4H3NO2S2
Molecular Weight161.21 g/mol
Exact Mass160.96
IUPAC Name1,3-thiazol-5-ylsulfanylformic acid
SMILESO=C(O)Sc1cncs1
InChIInChI=1S/C4H3NO2S2/c6-4(7)9-3-1-5-2-8-3/h1-2H,(H,6,7)
InChIKeyGURWGVRJRNOREG-UHFFFAOYSA-N
XLogP1.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-(1,3-thiazol-5-yl)thiohydroxylamine
CID 141165556
1,3-thiazol-5-ylcarbamic acid
CID 69255829
3-(1,3-thiazol-5-yl)prop-2-enoic acid
CID 67437915
3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 90242583
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid
CID 96627426
1,3-thiazole-5-carboxamide;hydrobromide
CID 164945589
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
lithium 1,3-thiazole-5-carboxylate
CID 67211399
(1,3-thiazole-5-carbonylamino)carbamic acid
CID 123379520
1,3-thiazol-2-ylsulfanylformic acid
CID 88841214
(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
CID 124595713

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylsulfanylformic acid?
The IUPAC name of 1,3-thiazol-5-ylsulfanylformic acid (CID 88804880) is 1,3-thiazol-5-ylsulfanylformic acid.
What is the SMILES notation for 1,3-thiazol-5-ylsulfanylformic acid?
The canonical SMILES for 1,3-thiazol-5-ylsulfanylformic acid is O=C(O)Sc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylsulfanylformic acid?
The InChIKey is GURWGVRJRNOREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2S2/c6-4(7)9-3-1-5-2-8-3/h1-2H,(H,6,7).
What are the key properties of 1,3-thiazol-5-ylsulfanylformic acid?
1,3-thiazol-5-ylsulfanylformic acid has a molecular weight of 161.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylsulfanylformic acid is sourced from PubChem (CID 88804880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).