4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione

C10H8ClNS2 — CID 134107103

IUPAC4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione
SMILESCn1c(-c2cccc(Cl)c2)csc1=S
InChIInChI=1S/C10H8ClNS2/c1-12-9(6-14-10(12)13)7-3-2-4-8(11)5-7/h2-6H,1H3
InChIKeyAQSSAFLOKWQHOT-UHFFFAOYSA-N
MW241.77 g/mol
LogP4.14
Rot. Bonds1

About 4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione

4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione (PubChem CID 134107103) has the molecular formula C10H8ClNS2 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione
PubChem CID134107103
Molecular FormulaC10H8ClNS2
Molecular Weight241.77 g/mol
Exact Mass240.98
IUPAC Name4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione
SMILESCn1c(-c2cccc(Cl)c2)csc1=S
InChIInChI=1S/C10H8ClNS2/c1-12-9(6-14-10(12)13)7-3-2-4-8(11)5-7/h2-6H,1H3
InChIKeyAQSSAFLOKWQHOT-UHFFFAOYSA-N
XLogP4.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione?
The IUPAC name of 4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione (CID 134107103) is 4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione?
The canonical SMILES for 4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione is Cn1c(-c2cccc(Cl)c2)csc1=S.
What is the InChIKey of 4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione?
The InChIKey is AQSSAFLOKWQHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS2/c1-12-9(6-14-10(12)13)7-3-2-4-8(11)5-7/h2-6H,1H3.
What are the key properties of 4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione?
4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione has a molecular weight of 241.77 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione is sourced from PubChem (CID 134107103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).