4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde

C10H6ClNOS2 — CID 1477244

IUPAC4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Sc2ccccc2)nc1Cl
InChIInChI=1S/C10H6ClNOS2/c11-9-8(6-13)15-10(12-9)14-7-4-2-1-3-5-7/h1-6H
InChIKeyQKWGWIWWVPGQOS-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.76
Rot. Bonds3

About 4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde

4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde (PubChem CID 1477244) has the molecular formula C10H6ClNOS2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde
PubChem CID1477244
Molecular FormulaC10H6ClNOS2
Molecular Weight255.75 g/mol
Exact Mass254.96
IUPAC Name4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Sc2ccccc2)nc1Cl
InChIInChI=1S/C10H6ClNOS2/c11-9-8(6-13)15-10(12-9)14-7-4-2-1-3-5-7/h1-6H
InChIKeyQKWGWIWWVPGQOS-UHFFFAOYSA-N
XLogP3.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde (CID 1477244) is 4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde is O=Cc1sc(Sc2ccccc2)nc1Cl.
What is the InChIKey of 4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is QKWGWIWWVPGQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNOS2/c11-9-8(6-13)15-10(12-9)14-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde?
4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 255.75 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 1477244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).