1-(2-methylsulfanylethyl)benzotriazole

C9H11N3S — CID 131018915

IUPAC1-(2-methylsulfanylethyl)benzotriazole
SMILESCSCCn1nnc2ccccc21
InChIInChI=1S/C9H11N3S/c1-13-7-6-12-9-5-3-2-4-8(9)10-11-12/h2-5H,6-7H2,1H3
InChIKeyASAHEYYTHWAUIX-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.79
Rot. Bonds3

About 1-(2-methylsulfanylethyl)benzotriazole

1-(2-methylsulfanylethyl)benzotriazole (PubChem CID 131018915) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)benzotriazole.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)benzotriazole
PubChem CID131018915
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name1-(2-methylsulfanylethyl)benzotriazole
SMILESCSCCn1nnc2ccccc21
InChIInChI=1S/C9H11N3S/c1-13-7-6-12-9-5-3-2-4-8(9)10-11-12/h2-5H,6-7H2,1H3
InChIKeyASAHEYYTHWAUIX-UHFFFAOYSA-N
XLogP1.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-tridecylbenzotriazole
CID 21059042
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
1-(3-chloropropyl)benzotriazole
CID 5243938
silver 1-octylbenzotriazole
CID 19818350
4-(benzotriazol-1-yl)butyl acetate
CID 3611762
acetic acid;1-octylbenzotriazole
CID 175150004
1-[2-(2,6-dimethylphenoxy)ethyl]benzotriazole
CID 6490953
1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole
CID 22989594
1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole
CID 3768632
1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole
CID 101452435

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)benzotriazole?
The IUPAC name of 1-(2-methylsulfanylethyl)benzotriazole (CID 131018915) is 1-(2-methylsulfanylethyl)benzotriazole.
What is the SMILES notation for 1-(2-methylsulfanylethyl)benzotriazole?
The canonical SMILES for 1-(2-methylsulfanylethyl)benzotriazole is CSCCn1nnc2ccccc21.
What is the InChIKey of 1-(2-methylsulfanylethyl)benzotriazole?
The InChIKey is ASAHEYYTHWAUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-13-7-6-12-9-5-3-2-4-8(9)10-11-12/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2-methylsulfanylethyl)benzotriazole?
1-(2-methylsulfanylethyl)benzotriazole has a molecular weight of 193.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)benzotriazole is sourced from PubChem (CID 131018915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).