1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole

C11H12N4S — CID 134862648

IUPAC1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole
SMILESCSc1ccc(/C=C/Cn2cnnn2)cc1
InChIInChI=1S/C11H12N4S/c1-16-11-6-4-10(5-7-11)3-2-8-15-9-12-13-14-15/h2-7,9H,8H2,1H3/b3-2+
InChIKeyDGWKDTVQKIFLOB-NSCUHMNNSA-N
MW232.31 g/mol
LogP2.11
Rot. Bonds4

About 1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole

1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole (PubChem CID 134862648) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole.

Molecular Properties

Compound Name1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole
PubChem CID134862648
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole
SMILESCSc1ccc(/C=C/Cn2cnnn2)cc1
InChIInChI=1S/C11H12N4S/c1-16-11-6-4-10(5-7-11)3-2-8-15-9-12-13-14-15/h2-7,9H,8H2,1H3/b3-2+
InChIKeyDGWKDTVQKIFLOB-NSCUHMNNSA-N
XLogP2.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole?
The IUPAC name of 1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole (CID 134862648) is 1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole.
What is the SMILES notation for 1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole?
The canonical SMILES for 1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole is CSc1ccc(/C=C/Cn2cnnn2)cc1.
What is the InChIKey of 1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole?
The InChIKey is DGWKDTVQKIFLOB-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H12N4S/c1-16-11-6-4-10(5-7-11)3-2-8-15-9-12-13-14-15/h2-7,9H,8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole?
1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole has a molecular weight of 232.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole is sourced from PubChem (CID 134862648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).