2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole

C9H6ClNS3 — CID 150660049

IUPAC2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole
SMILESClc1cccc(SSc2nccs2)c1
InChIInChI=1S/C9H6ClNS3/c10-7-2-1-3-8(6-7)13-14-9-11-4-5-12-9/h1-6H
InChIKeyJDRWQWRRVPBWRN-UHFFFAOYSA-N
MW259.81 g/mol
LogP4.60
Rot. Bonds3

About 2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole

2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole (PubChem CID 150660049) has the molecular formula C9H6ClNS3 and a molecular weight of 259.81 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole
PubChem CID150660049
Molecular FormulaC9H6ClNS3
Molecular Weight259.81 g/mol
Exact Mass258.94
IUPAC Name2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole
SMILESClc1cccc(SSc2nccs2)c1
InChIInChI=1S/C9H6ClNS3/c10-7-2-1-3-8(6-7)13-14-9-11-4-5-12-9/h1-6H
InChIKeyJDRWQWRRVPBWRN-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole (CID 150660049) is 2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole is Clc1cccc(SSc2nccs2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole?
The InChIKey is JDRWQWRRVPBWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNS3/c10-7-2-1-3-8(6-7)13-14-9-11-4-5-12-9/h1-6H.
What are the key properties of 2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole?
2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole has a molecular weight of 259.81 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)disulfanyl]-1,3-thiazole is sourced from PubChem (CID 150660049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).