1-(1-phenylsulfanylprop-1-enyl)benzotriazole

C15H13N3S — CID 3839750

IUPAC1-(1-phenylsulfanylprop-1-enyl)benzotriazole
SMILESCC=C(Sc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H13N3S/c1-2-15(19-12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)16-17-18/h2-11H,1H3
InChIKeyRENGOXILDBGNJP-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.04
Rot. Bonds3

About 1-(1-phenylsulfanylprop-1-enyl)benzotriazole

1-(1-phenylsulfanylprop-1-enyl)benzotriazole (PubChem CID 3839750) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-(1-phenylsulfanylprop-1-enyl)benzotriazole.

Molecular Properties

Compound Name1-(1-phenylsulfanylprop-1-enyl)benzotriazole
PubChem CID3839750
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name1-(1-phenylsulfanylprop-1-enyl)benzotriazole
SMILESCC=C(Sc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H13N3S/c1-2-15(19-12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)16-17-18/h2-11H,1H3
InChIKeyRENGOXILDBGNJP-UHFFFAOYSA-N
XLogP4.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole
CID 134987646
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
1-(1-cyclohexylprop-1-enyl)benzotriazole
CID 3753797
1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole
CID 154939480
2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
1-[2-(benzotriazol-1-yl)-1,2-bis(phenylsulfanyl)ethyl]benzotriazole
CID 3750406
1-[(E)-1-bromobut-1-enyl]benzotriazole
CID 26793587
1-[(E)-2-(4-methylphenyl)-1-phenyl-3-phenylsulfanylprop-1-enyl]benzotriazole
CID 10873738
1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole
CID 156786178
N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline
CID 6518439
methyl (E)-3-(benzotriazol-1-yl)but-2-enoate
CID 121219039
(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine
CID 10449065

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylsulfanylprop-1-enyl)benzotriazole?
The IUPAC name of 1-(1-phenylsulfanylprop-1-enyl)benzotriazole (CID 3839750) is 1-(1-phenylsulfanylprop-1-enyl)benzotriazole.
What is the SMILES notation for 1-(1-phenylsulfanylprop-1-enyl)benzotriazole?
The canonical SMILES for 1-(1-phenylsulfanylprop-1-enyl)benzotriazole is CC=C(Sc1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-(1-phenylsulfanylprop-1-enyl)benzotriazole?
The InChIKey is RENGOXILDBGNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-2-15(19-12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)16-17-18/h2-11H,1H3.
What are the key properties of 1-(1-phenylsulfanylprop-1-enyl)benzotriazole?
1-(1-phenylsulfanylprop-1-enyl)benzotriazole has a molecular weight of 267.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylsulfanylprop-1-enyl)benzotriazole is sourced from PubChem (CID 3839750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).