5-benzyl-5H-1,3-thiazole-2-thione

C10H9NS2 — CID 88803890

IUPAC5-benzyl-5H-1,3-thiazole-2-thione
SMILESS=C1N=CC(Cc2ccccc2)S1
InChIInChI=1S/C10H9NS2/c12-10-11-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2
InChIKeyXOPPDTMDCYLIIB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.70
Rot. Bonds2

About 5-benzyl-5H-1,3-thiazole-2-thione

5-benzyl-5H-1,3-thiazole-2-thione (PubChem CID 88803890) has the molecular formula C10H9NS2 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-benzyl-5H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-benzyl-5H-1,3-thiazole-2-thione
PubChem CID88803890
Molecular FormulaC10H9NS2
Molecular Weight207.32 g/mol
Exact Mass207.02
IUPAC Name5-benzyl-5H-1,3-thiazole-2-thione
SMILESS=C1N=CC(Cc2ccccc2)S1
InChIInChI=1S/C10H9NS2/c12-10-11-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2
InChIKeyXOPPDTMDCYLIIB-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Benzylthio-2-thiazoline
CID 275677
Thiazole, 4,5-dihydro-2-phenyl-
CID 200788
5-Methyl-2-phenyl-4,5-dihydro-1,3-thiazole
CID 211414
Thiazole, 4,5-dihydro-4,4-dimethyl-2-(phenylmethyl)-
CID 3040932
4-Isothiocyanatobutylsulfanylmethylbenzene
CID 71699223
3-Thiazoline, 2-ethyl-4-phenyl-
CID 3050568
3-Thiazoline, 2-ethyl-2-methyl-4-phenyl-
CID 13738288
2-[2-(4-Fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole
CID 101184938
2-Benzyl-4,4-dimethyl-1,3-thiazole-5-thione
CID 13808836
Phenyl 5h thiazol
CID 18683075
4-Phenylthiazoline-2-thione
CID 20192735
Benzylimidazole-2-thione
CID 21939672

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5H-1,3-thiazole-2-thione?
The IUPAC name of 5-benzyl-5H-1,3-thiazole-2-thione (CID 88803890) is 5-benzyl-5H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-benzyl-5H-1,3-thiazole-2-thione?
The canonical SMILES for 5-benzyl-5H-1,3-thiazole-2-thione is S=C1N=CC(Cc2ccccc2)S1.
What is the InChIKey of 5-benzyl-5H-1,3-thiazole-2-thione?
The InChIKey is XOPPDTMDCYLIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS2/c12-10-11-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2.
What are the key properties of 5-benzyl-5H-1,3-thiazole-2-thione?
5-benzyl-5H-1,3-thiazole-2-thione has a molecular weight of 207.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5H-1,3-thiazole-2-thione is sourced from PubChem (CID 88803890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).