(4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate

C10H7NO2S2 — CID 23299323

IUPAC(4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate
SMILESO=COn1c(-c2ccccc2)csc1=S
InChIInChI=1S/C10H7NO2S2/c12-7-13-11-9(6-15-10(11)14)8-4-2-1-3-5-8/h1-7H
InChIKeyMKHCYJWDHMTFEV-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.53
Rot. Bonds3

About (4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate

(4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate (PubChem CID 23299323) has the molecular formula C10H7NO2S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is (4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate.

Molecular Properties

Compound Name(4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate
PubChem CID23299323
Molecular FormulaC10H7NO2S2
Molecular Weight237.31 g/mol
Exact Mass236.99
IUPAC Name(4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate
SMILESO=COn1c(-c2ccccc2)csc1=S
InChIInChI=1S/C10H7NO2S2/c12-7-13-11-9(6-15-10(11)14)8-4-2-1-3-5-8/h1-7H
InChIKeyMKHCYJWDHMTFEV-UHFFFAOYSA-N
XLogP2.53
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate?
The IUPAC name of (4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate (CID 23299323) is (4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate.
What is the SMILES notation for (4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate?
The canonical SMILES for (4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate is O=COn1c(-c2ccccc2)csc1=S.
What is the InChIKey of (4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate?
The InChIKey is MKHCYJWDHMTFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S2/c12-7-13-11-9(6-15-10(11)14)8-4-2-1-3-5-8/h1-7H.
What are the key properties of (4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate?
(4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate has a molecular weight of 237.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) formate is sourced from PubChem (CID 23299323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).