5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione

C10H8ClNS2 — CID 82161826

IUPAC5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione
SMILESCc1[nH]c(=S)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNS2/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13)
InChIKeyWILKMFHGLJQYOG-UHFFFAOYSA-N
MW241.77 g/mol
LogP4.43
Rot. Bonds1

About 5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione

5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione (PubChem CID 82161826) has the molecular formula C10H8ClNS2 and a molecular weight of 241.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione
PubChem CID82161826
Molecular FormulaC10H8ClNS2
Molecular Weight241.77 g/mol
Exact Mass240.98
IUPAC Name5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione
SMILESCc1[nH]c(=S)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNS2/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13)
InChIKeyWILKMFHGLJQYOG-UHFFFAOYSA-N
XLogP4.43
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione (CID 82161826) is 5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione is Cc1[nH]c(=S)sc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione?
The InChIKey is WILKMFHGLJQYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS2/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione?
5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione has a molecular weight of 241.77 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 82161826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).