3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione

C9H7NS4 — CID 15807056

IUPAC3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione
SMILESS=c1sc(S)c(S)n1-c1ccccc1
InChIInChI=1S/C9H7NS4/c11-7-8(12)14-9(13)10(7)6-4-2-1-3-5-6/h1-5,11-12H
InChIKeyPBHASPVYPXPZBZ-UHFFFAOYSA-N
MW257.43 g/mol
LogP3.85
Rot. Bonds1

About 3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione

3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione (PubChem CID 15807056) has the molecular formula C9H7NS4 and a molecular weight of 257.43 g/mol. Its IUPAC name is 3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione
PubChem CID15807056
Molecular FormulaC9H7NS4
Molecular Weight257.43 g/mol
Exact Mass256.95
IUPAC Name3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione
SMILESS=c1sc(S)c(S)n1-c1ccccc1
InChIInChI=1S/C9H7NS4/c11-7-8(12)14-9(13)10(7)6-4-2-1-3-5-6/h1-5,11-12H
InChIKeyPBHASPVYPXPZBZ-UHFFFAOYSA-N
XLogP3.85
TPSA4.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide
CID 756549
5-mercapto-3-phenyl-1,3,4-thiadiazole-2(3h)-thione, potassium salt
CID 2775614
Methyl(phenyl)carbamodithioic acid
CID 11117198
Lead(2+) ethylphenyldithiocarbamate
CID 25678
3-Phenyl-2-thiazolidinethione
CID 275673
Phenylcarbamodithioic acid
CID 3032378
4-methyl-3-phenyl-1,3-thiazole-2(3H)-thione
CID 240712
1-Phenylpyrrolidine-2-thione
CID 600677
N-Methyl-N-phenylcarbamodithioic acid
CID 411265
Methyl diphenylcarbamodithioate
CID 2356886
Carbamodithioic acid, methylphenyl-, methyl ester
CID 10888869
Potassium 2-mercapto-4-phenyl-1,3,4-thiadiazoline-5-thione
CID 23686440

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione?
The IUPAC name of 3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione (CID 15807056) is 3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione?
The canonical SMILES for 3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione is S=c1sc(S)c(S)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione?
The InChIKey is PBHASPVYPXPZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS4/c11-7-8(12)14-9(13)10(7)6-4-2-1-3-5-6/h1-5,11-12H.
What are the key properties of 3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione?
3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione has a molecular weight of 257.43 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 15807056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).