5-methylsulfanyl-1-propan-2-yltriazole

C6H11N3S — CID 21395377

IUPAC5-methylsulfanyl-1-propan-2-yltriazole
SMILESCSc1cnnn1C(C)C
InChIInChI=1S/C6H11N3S/c1-5(2)9-6(10-3)4-7-8-9/h4-5H,1-3H3
InChIKeyGOTCMSDTBCUHGQ-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.58
Rot. Bonds2

About 5-methylsulfanyl-1-propan-2-yltriazole

5-methylsulfanyl-1-propan-2-yltriazole (PubChem CID 21395377) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-methylsulfanyl-1-propan-2-yltriazole.

Molecular Properties

Compound Name5-methylsulfanyl-1-propan-2-yltriazole
PubChem CID21395377
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name5-methylsulfanyl-1-propan-2-yltriazole
SMILESCSc1cnnn1C(C)C
InChIInChI=1S/C6H11N3S/c1-5(2)9-6(10-3)4-7-8-9/h4-5H,1-3H3
InChIKeyGOTCMSDTBCUHGQ-UHFFFAOYSA-N
XLogP1.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-1,2,3-Triazole, 1-methyl-5-methylthio-
CID 141989
5-Ethylsulfanyl-1-methyltriazole
CID 12502187
1-Butyl-5-methylsulfanyltriazole
CID 21395392
1-Ethyl-5-methylsulfanyltriazole
CID 21395422
1H-1,2,3-Triazole, 1-methyl-4-methylthio-
CID 142109
1-Ethyl-5-ethylsulfanyltriazole
CID 12502188
5-Methylsulfanyl-1-prop-2-enyltriazole
CID 12502189
5-Ethylsulfanyl-1-prop-2-enyltriazole
CID 12502190
1-Cyclohexyl-5-methylsulfanyltriazole
CID 134912337
4-Acetylthiomethylthio-3-methyl-1,2,3-triazole
CID 10420433
1-Tert-butyl-4-methylsulfanyltriazole
CID 20516630
5-Methylsulfanyl-1-propyltriazole
CID 21395373

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-propan-2-yltriazole?
The IUPAC name of 5-methylsulfanyl-1-propan-2-yltriazole (CID 21395377) is 5-methylsulfanyl-1-propan-2-yltriazole.
What is the SMILES notation for 5-methylsulfanyl-1-propan-2-yltriazole?
The canonical SMILES for 5-methylsulfanyl-1-propan-2-yltriazole is CSc1cnnn1C(C)C.
What is the InChIKey of 5-methylsulfanyl-1-propan-2-yltriazole?
The InChIKey is GOTCMSDTBCUHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-5(2)9-6(10-3)4-7-8-9/h4-5H,1-3H3.
What are the key properties of 5-methylsulfanyl-1-propan-2-yltriazole?
5-methylsulfanyl-1-propan-2-yltriazole has a molecular weight of 157.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-propan-2-yltriazole is sourced from PubChem (CID 21395377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).