4-phenyl-5-propan-2-ylsulfanylthiadiazole

C11H12N2S2 — CID 1473970

IUPAC4-phenyl-5-propan-2-ylsulfanylthiadiazole
SMILESCC(C)Sc1snnc1-c1ccccc1
InChIInChI=1S/C11H12N2S2/c1-8(2)14-11-10(12-13-15-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyPKADQBOWCAGMMY-UHFFFAOYSA-N
MW236.37 g/mol
LogP3.71
Rot. Bonds3

About 4-phenyl-5-propan-2-ylsulfanylthiadiazole

4-phenyl-5-propan-2-ylsulfanylthiadiazole (PubChem CID 1473970) has the molecular formula C11H12N2S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is 4-phenyl-5-propan-2-ylsulfanylthiadiazole.

Molecular Properties

Compound Name4-phenyl-5-propan-2-ylsulfanylthiadiazole
PubChem CID1473970
Molecular FormulaC11H12N2S2
Molecular Weight236.37 g/mol
Exact Mass236.04
IUPAC Name4-phenyl-5-propan-2-ylsulfanylthiadiazole
SMILESCC(C)Sc1snnc1-c1ccccc1
InChIInChI=1S/C11H12N2S2/c1-8(2)14-11-10(12-13-15-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyPKADQBOWCAGMMY-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenyl-1,2,3-thiadiazole
CID 270010
4-(4-Methylphenyl)-1,2,3-thiadiazole
CID 2739137
5-Methyl-4-phenyl-1,2,3-thiadiazole
CID 338037
Methyl 2-{[4-(4-fluorophenyl)-1,2,3-thiadiazol-5-yl]sulfanyl}acetate
CID 1473994
5-(Benzylsulfanyl)-4-(4-chlorophenyl)-1,2,3-thiadiazole
CID 3822209
4-(4-Fluorophenyl)-1,2,3-thiadiazole
CID 592378
2-(4-(1,2,3-Thiadiazol-4-yl)phenyl)thioacetamide
CID 2739451
Methyl 4-phenyl-1,2,3-thiadiazol-5-yl sulfide
CID 1473996
Ethyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]acetate
CID 1473962
Benzyl 4-phenyl-1,2,3-thiadiazol-5-yl sulfide
CID 1473977
Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate
CID 3293422
2-Chlorobenzyl 4-phenyl-1,2,3-thiadiazol-5-yl sulfide
CID 3588754

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-propan-2-ylsulfanylthiadiazole?
The IUPAC name of 4-phenyl-5-propan-2-ylsulfanylthiadiazole (CID 1473970) is 4-phenyl-5-propan-2-ylsulfanylthiadiazole.
What is the SMILES notation for 4-phenyl-5-propan-2-ylsulfanylthiadiazole?
The canonical SMILES for 4-phenyl-5-propan-2-ylsulfanylthiadiazole is CC(C)Sc1snnc1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-propan-2-ylsulfanylthiadiazole?
The InChIKey is PKADQBOWCAGMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-8(2)14-11-10(12-13-15-11)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 4-phenyl-5-propan-2-ylsulfanylthiadiazole?
4-phenyl-5-propan-2-ylsulfanylthiadiazole has a molecular weight of 236.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-propan-2-ylsulfanylthiadiazole is sourced from PubChem (CID 1473970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).