4-(4-methylphenyl)-3H-1,3-thiazole-2-thione

C10H9NS2 — CID 820765

IUPAC4-(4-methylphenyl)-3H-1,3-thiazole-2-thione
SMILESCc1ccc(-c2csc(=S)[nH]2)cc1
InChIInChI=1S/C10H9NS2/c1-7-2-4-8(5-3-7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12)
InChIKeyIFHSFJUUGCCKOC-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.78
Rot. Bonds1

About 4-(4-methylphenyl)-3H-1,3-thiazole-2-thione

4-(4-methylphenyl)-3H-1,3-thiazole-2-thione (PubChem CID 820765) has the molecular formula C10H9NS2 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(4-methylphenyl)-3H-1,3-thiazole-2-thione
PubChem CID820765
Molecular FormulaC10H9NS2
Molecular Weight207.32 g/mol
Exact Mass207.02
IUPAC Name4-(4-methylphenyl)-3H-1,3-thiazole-2-thione
SMILESCc1ccc(-c2csc(=S)[nH]2)cc1
InChIInChI=1S/C10H9NS2/c1-7-2-4-8(5-3-7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12)
InChIKeyIFHSFJUUGCCKOC-UHFFFAOYSA-N
XLogP3.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2(3H)-Thiazolethione, 4-phenyl-
CID 3000729
2-Hydroxy-4-phenylthiazole
CID 698903
4-(4-Fluorophenyl)-1,3-thiazole-2-thiol
CID 716719
Methyl N-(phenylmethyl)carbamodithioate
CID 3032509
4-(4-Methylphenyl)-2,3-dihydro-1,3-thiazol-2-one
CID 5305422
5-Amino-4-phenyl-2(3H)-thiazolethione
CID 3001791
Carbamic acid, benzyldithio-, ethyl ester
CID 3032415
Carbamic acid, benzyldithio-, allyl ester
CID 3032712
4-[4-(Trifluoromethyl)phenyl]thiazole-2-thiol
CID 21409007
4-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzonitrile
CID 21937006
4-(3-fluorophenyl)-3H-1,3-thiazole-2-thione
CID 64309944
3-Methyl-4-phenyl-1,3-thiazole-2(3H)-thione
CID 519864

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(4-methylphenyl)-3H-1,3-thiazole-2-thione (CID 820765) is 4-(4-methylphenyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(4-methylphenyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(4-methylphenyl)-3H-1,3-thiazole-2-thione is Cc1ccc(-c2csc(=S)[nH]2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3H-1,3-thiazole-2-thione?
The InChIKey is IFHSFJUUGCCKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS2/c1-7-2-4-8(5-3-7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12).
What are the key properties of 4-(4-methylphenyl)-3H-1,3-thiazole-2-thione?
4-(4-methylphenyl)-3H-1,3-thiazole-2-thione has a molecular weight of 207.32 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 820765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).