2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid

C4H3F2NO2S2 — CID 146571335

IUPAC2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid
SMILESO=S(O)c1cnc(C(F)F)s1
InChIInChI=1S/C4H3F2NO2S2/c5-3(6)4-7-1-2(10-4)11(8)9/h1,3H,(H,8,9)
InChIKeyCWULNQLWHTZXBH-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.66
Rot. Bonds2

About 2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid

2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid (PubChem CID 146571335) has the molecular formula C4H3F2NO2S2 and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid
PubChem CID146571335
Molecular FormulaC4H3F2NO2S2
Molecular Weight199.20 g/mol
Exact Mass198.96
IUPAC Name2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid
SMILESO=S(O)c1cnc(C(F)F)s1
InChIInChI=1S/C4H3F2NO2S2/c5-3(6)4-7-1-2(10-4)11(8)9/h1,3H,(H,8,9)
InChIKeyCWULNQLWHTZXBH-UHFFFAOYSA-N
XLogP1.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid?
The IUPAC name of 2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid (CID 146571335) is 2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid.
What is the SMILES notation for 2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid?
The canonical SMILES for 2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid is O=S(O)c1cnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid?
The InChIKey is CWULNQLWHTZXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2NO2S2/c5-3(6)4-7-1-2(10-4)11(8)9/h1,3H,(H,8,9).
What are the key properties of 2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid?
2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid has a molecular weight of 199.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-thiazole-5-sulfinic acid is sourced from PubChem (CID 146571335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).