4-(3-phenylprop-2-enylsulfanyl)-2H-triazole

C11H11N3S — CID 91941382

IUPAC4-(3-phenylprop-2-enylsulfanyl)-2H-triazole
SMILESC(=Cc1ccccc1)CSc1cn[nH]n1
InChIInChI=1S/C11H11N3S/c1-2-5-10(6-3-1)7-4-8-15-11-9-12-14-13-11/h1-7,9H,8H2,(H,12,13,14)
InChIKeyASVMKGFBWJSGDB-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.61
Rot. Bonds4

About 4-(3-phenylprop-2-enylsulfanyl)-2H-triazole

4-(3-phenylprop-2-enylsulfanyl)-2H-triazole (PubChem CID 91941382) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 4-(3-phenylprop-2-enylsulfanyl)-2H-triazole.

Molecular Properties

Compound Name4-(3-phenylprop-2-enylsulfanyl)-2H-triazole
PubChem CID91941382
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name4-(3-phenylprop-2-enylsulfanyl)-2H-triazole
SMILESC(=Cc1ccccc1)CSc1cn[nH]n1
InChIInChI=1S/C11H11N3S/c1-2-5-10(6-3-1)7-4-8-15-11-9-12-14-13-11/h1-7,9H,8H2,(H,12,13,14)
InChIKeyASVMKGFBWJSGDB-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine
CID 121031260
5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine
CID 74315241
3-(disulfanyl)prop-1-enylbenzene
CID 173164677
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626
4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine
CID 43300182
4-phenylsulfanyl-2H-triazole;silver
CID 87874372
4-[(E)-3-phenylprop-2-enyl]sulfanylaniline
CID 43299480
5-(bromomethyl)-2-(3-phenylprop-2-enylsulfanyl)-1,3-thiazole
CID 131870773
N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide
CID 40664198
4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole
CID 70412416
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
4-[4-(2H-triazol-4-ylsulfanyl)butylsulfanyl]-2H-triazole
CID 20793647

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylprop-2-enylsulfanyl)-2H-triazole?
The IUPAC name of 4-(3-phenylprop-2-enylsulfanyl)-2H-triazole (CID 91941382) is 4-(3-phenylprop-2-enylsulfanyl)-2H-triazole.
What is the SMILES notation for 4-(3-phenylprop-2-enylsulfanyl)-2H-triazole?
The canonical SMILES for 4-(3-phenylprop-2-enylsulfanyl)-2H-triazole is C(=Cc1ccccc1)CSc1cn[nH]n1.
What is the InChIKey of 4-(3-phenylprop-2-enylsulfanyl)-2H-triazole?
The InChIKey is ASVMKGFBWJSGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-2-5-10(6-3-1)7-4-8-15-11-9-12-14-13-11/h1-7,9H,8H2,(H,12,13,14).
What are the key properties of 4-(3-phenylprop-2-enylsulfanyl)-2H-triazole?
4-(3-phenylprop-2-enylsulfanyl)-2H-triazole has a molecular weight of 217.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylprop-2-enylsulfanyl)-2H-triazole is sourced from PubChem (CID 91941382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).