2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole

C8H12N2S3 — CID 47094995

IUPAC2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole
SMILESC=C(C)CSc1nnc(SCC)s1
InChIInChI=1S/C8H12N2S3/c1-4-11-7-9-10-8(13-7)12-5-6(2)3/h2,4-5H2,1,3H3
InChIKeyUWGZARSCYWLUAM-UHFFFAOYSA-N
MW232.40 g/mol
LogP3.32
Rot. Bonds5

About 2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole

2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole (PubChem CID 47094995) has the molecular formula C8H12N2S3 and a molecular weight of 232.40 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole
PubChem CID47094995
Molecular FormulaC8H12N2S3
Molecular Weight232.40 g/mol
Exact Mass232.02
IUPAC Name2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole
SMILESC=C(C)CSc1nnc(SCC)s1
InChIInChI=1S/C8H12N2S3/c1-4-11-7-9-10-8(13-7)12-5-6(2)3/h2,4-5H2,1,3H3
InChIKeyUWGZARSCYWLUAM-UHFFFAOYSA-N
XLogP3.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole
CID 853221
1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
CID 39905896
N-cyclopropyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 25352768
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 84602735
N-cyclohexyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 47096016
N-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 42667055
N-[4-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 7692278
N-cyclopropyl-N-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 47142058
2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole
CID 59817036
N-(cyclopropylmethyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 46525895
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 2663016
N-(dicyclopropylmethyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47144275

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole (CID 47094995) is 2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole is C=C(C)CSc1nnc(SCC)s1.
What is the InChIKey of 2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is UWGZARSCYWLUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S3/c1-4-11-7-9-10-8(13-7)12-5-6(2)3/h2,4-5H2,1,3H3.
What are the key properties of 2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole?
2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 232.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 47094995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).