1-(2-methylprop-1-enylsulfanyl)benzotriazole

C10H11N3S — CID 129213352

IUPAC1-(2-methylprop-1-enylsulfanyl)benzotriazole
SMILESCC(C)=CSn1nnc2ccccc21
InChIInChI=1S/C10H11N3S/c1-8(2)7-14-13-10-6-4-3-5-9(10)11-12-13/h3-7H,1-2H3
InChIKeyMNEGIQCVTHFIFC-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.85
Rot. Bonds2

About 1-(2-methylprop-1-enylsulfanyl)benzotriazole

1-(2-methylprop-1-enylsulfanyl)benzotriazole (PubChem CID 129213352) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-(2-methylprop-1-enylsulfanyl)benzotriazole.

Molecular Properties

Compound Name1-(2-methylprop-1-enylsulfanyl)benzotriazole
PubChem CID129213352
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name1-(2-methylprop-1-enylsulfanyl)benzotriazole
SMILESCC(C)=CSn1nnc2ccccc21
InChIInChI=1S/C10H11N3S/c1-8(2)7-14-13-10-6-4-3-5-9(10)11-12-13/h3-7H,1-2H3
InChIKeyMNEGIQCVTHFIFC-UHFFFAOYSA-N
XLogP2.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(benzotriazol-1-yl) butanebis(dithioate)
CID 134115843
1-(4-fluorophenyl)sulfanylbenzotriazole
CID 26794753
argon;1-hydroxybenzotriazole
CID 87516361
CID 68739763
CID 68739763
copper;tetrakis(1-methylbenzotriazole);hydrate
CID 5259674
benzotriazol-1-yl(trimethyl)stannane
CID 165357783
1-(1-phenylsulfanylprop-1-enyl)benzotriazole
CID 3839750
tris(benzotriazol-1-yl)borane
CID 101187740
methane;1-methoxybenzotriazole
CID 161160564
3-(benzotriazol-1-yl)hexan-2-one
CID 154962693
1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole
CID 134987646
1-hydroxybenzotriazole;methanesulfonic acid
CID 23179795

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enylsulfanyl)benzotriazole?
The IUPAC name of 1-(2-methylprop-1-enylsulfanyl)benzotriazole (CID 129213352) is 1-(2-methylprop-1-enylsulfanyl)benzotriazole.
What is the SMILES notation for 1-(2-methylprop-1-enylsulfanyl)benzotriazole?
The canonical SMILES for 1-(2-methylprop-1-enylsulfanyl)benzotriazole is CC(C)=CSn1nnc2ccccc21.
What is the InChIKey of 1-(2-methylprop-1-enylsulfanyl)benzotriazole?
The InChIKey is MNEGIQCVTHFIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-8(2)7-14-13-10-6-4-3-5-9(10)11-12-13/h3-7H,1-2H3.
What are the key properties of 1-(2-methylprop-1-enylsulfanyl)benzotriazole?
1-(2-methylprop-1-enylsulfanyl)benzotriazole has a molecular weight of 205.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enylsulfanyl)benzotriazole is sourced from PubChem (CID 129213352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).