5-methyl-2-phenyl-1,3-thiazine-6-thione

C11H9NS2 — CID 13358812

IUPAC5-methyl-2-phenyl-1,3-thiazine-6-thione
SMILESCc1cnc(-c2ccccc2)sc1=S
InChIInChI=1S/C11H9NS2/c1-8-7-12-10(14-11(8)13)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyJOEXCHNECRCGKN-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.85
Rot. Bonds1

About 5-methyl-2-phenyl-1,3-thiazine-6-thione

5-methyl-2-phenyl-1,3-thiazine-6-thione (PubChem CID 13358812) has the molecular formula C11H9NS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1,3-thiazine-6-thione.

Molecular Properties

Compound Name5-methyl-2-phenyl-1,3-thiazine-6-thione
PubChem CID13358812
Molecular FormulaC11H9NS2
Molecular Weight219.33 g/mol
Exact Mass219.02
IUPAC Name5-methyl-2-phenyl-1,3-thiazine-6-thione
SMILESCc1cnc(-c2ccccc2)sc1=S
InChIInChI=1S/C11H9NS2/c1-8-7-12-10(14-11(8)13)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyJOEXCHNECRCGKN-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-2-phenyl-1,3-thiazine-6-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,6-dimethyl-4-phenylphenyl)-2-phenyl-1,3-thiazole
CID 140714930
5-butyl-2-phenyl-1,3-thiazole
CID 67548106
N-(2,5-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46484824
2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
CID 157204141
5-(4-chlorophenyl)-2-phenyl-1,3-thiazole
CID 101443473
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
4-(5-phenyl-1,3-thiazol-2-yl)benzenesulfonic acid
CID 88788376
ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole
CID 123316346
3,4,5-trimethyl-2-phenylpyridine
CID 59359504
2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol
CID 67402697
2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole
CID 173298635
3-bromo-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-2,5-dihydro-1,2-oxazole
CID 91249630

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-1,3-thiazine-6-thione?
The IUPAC name of 5-methyl-2-phenyl-1,3-thiazine-6-thione (CID 13358812) is 5-methyl-2-phenyl-1,3-thiazine-6-thione.
What is the SMILES notation for 5-methyl-2-phenyl-1,3-thiazine-6-thione?
The canonical SMILES for 5-methyl-2-phenyl-1,3-thiazine-6-thione is Cc1cnc(-c2ccccc2)sc1=S.
What is the InChIKey of 5-methyl-2-phenyl-1,3-thiazine-6-thione?
The InChIKey is JOEXCHNECRCGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS2/c1-8-7-12-10(14-11(8)13)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 5-methyl-2-phenyl-1,3-thiazine-6-thione?
5-methyl-2-phenyl-1,3-thiazine-6-thione has a molecular weight of 219.33 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1,3-thiazine-6-thione is sourced from PubChem (CID 13358812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).