2-cyclopropyl-1,3-thiazole-5-sulfinic acid

C6H7NO2S2 — CID 165456056

IUPAC2-cyclopropyl-1,3-thiazole-5-sulfinic acid
SMILESO=S(O)c1cnc(C2CC2)s1
InChIInChI=1S/C6H7NO2S2/c8-11(9)5-3-7-6(10-5)4-1-2-4/h3-4H,1-2H2,(H,8,9)
InChIKeyXPCWZQHOEGZSCE-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.60
Rot. Bonds2

About 2-cyclopropyl-1,3-thiazole-5-sulfinic acid

2-cyclopropyl-1,3-thiazole-5-sulfinic acid (PubChem CID 165456056) has the molecular formula C6H7NO2S2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-thiazole-5-sulfinic acid.

Molecular Properties

Compound Name2-cyclopropyl-1,3-thiazole-5-sulfinic acid
PubChem CID165456056
Molecular FormulaC6H7NO2S2
Molecular Weight189.26 g/mol
Exact Mass188.99
IUPAC Name2-cyclopropyl-1,3-thiazole-5-sulfinic acid
SMILESO=S(O)c1cnc(C2CC2)s1
InChIInChI=1S/C6H7NO2S2/c8-11(9)5-3-7-6(10-5)4-1-2-4/h3-4H,1-2H2,(H,8,9)
InChIKeyXPCWZQHOEGZSCE-UHFFFAOYSA-N
XLogP1.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.60
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-cyclopropyl-1,3-thiazole-5-sulfinic acid?
The IUPAC name of 2-cyclopropyl-1,3-thiazole-5-sulfinic acid (CID 165456056) is 2-cyclopropyl-1,3-thiazole-5-sulfinic acid.
What is the SMILES notation for 2-cyclopropyl-1,3-thiazole-5-sulfinic acid?
The canonical SMILES for 2-cyclopropyl-1,3-thiazole-5-sulfinic acid is O=S(O)c1cnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-1,3-thiazole-5-sulfinic acid?
The InChIKey is XPCWZQHOEGZSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S2/c8-11(9)5-3-7-6(10-5)4-1-2-4/h3-4H,1-2H2,(H,8,9).
What are the key properties of 2-cyclopropyl-1,3-thiazole-5-sulfinic acid?
2-cyclopropyl-1,3-thiazole-5-sulfinic acid has a molecular weight of 189.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-thiazole-5-sulfinic acid is sourced from PubChem (CID 165456056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).