5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione

C10H10N2S3 — CID 165353209

IUPAC5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione
SMILESCc1ccc(Sc2n[nH]c(=S)s2)c(C)c1
InChIInChI=1S/C10H10N2S3/c1-6-3-4-8(7(2)5-6)14-10-12-11-9(13)15-10/h3-5H,1-2H3,(H,11,13)
InChIKeyISIOTLFWROWBSM-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.97
Rot. Bonds2

About 5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione

5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione (PubChem CID 165353209) has the molecular formula C10H10N2S3 and a molecular weight of 254.41 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione
PubChem CID165353209
Molecular FormulaC10H10N2S3
Molecular Weight254.41 g/mol
Exact Mass254.00
IUPAC Name5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione
SMILESCc1ccc(Sc2n[nH]c(=S)s2)c(C)c1
InChIInChI=1S/C10H10N2S3/c1-6-3-4-8(7(2)5-6)14-10-12-11-9(13)15-10/h3-5H,1-2H3,(H,11,13)
InChIKeyISIOTLFWROWBSM-UHFFFAOYSA-N
XLogP3.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dimethylanilino)-3H-1,3,4-thiadiazole-2-thione
CID 2731412
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde
CID 80692926
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178
5-pentan-3-ylsulfanyl-3H-1,3,4-thiadiazole-2-thione
CID 18711572
3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole
CID 43808354
sodium 4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]benzenesulfonate
CID 22972169
5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 2735523
4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine
CID 80882423
1-hydroxysulfanyl-2,4-dimethylbenzene
CID 117033827
5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 21357250

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione (CID 165353209) is 5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione is Cc1ccc(Sc2n[nH]c(=S)s2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is ISIOTLFWROWBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S3/c1-6-3-4-8(7(2)5-6)14-10-12-11-9(13)15-10/h3-5H,1-2H3,(H,11,13).
What are the key properties of 5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione?
5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 254.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 165353209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).