2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole

C10H10N2S2 — CID 5158218

IUPAC2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SCc2ccccc2)s1
InChIInChI=1S/C10H10N2S2/c1-8-11-12-10(14-8)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyDTDSLINPWQLVJT-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.14
Rot. Bonds3

About 2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole

2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole (PubChem CID 5158218) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole
PubChem CID5158218
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SCc2ccccc2)s1
InChIInChI=1S/C10H10N2S2/c1-8-11-12-10(14-8)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyDTDSLINPWQLVJT-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole (CID 5158218) is 2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole is Cc1nnc(SCc2ccccc2)s1.
What is the InChIKey of 2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is DTDSLINPWQLVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-8-11-12-10(14-8)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole?
2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 222.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 5158218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).