5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole

C13H15ClN4OS — CID 75377603

IUPAC5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole
SMILESC=C(Cl)CS(=O)Cc1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C13H15ClN4OS/c1-9-5-4-6-10(2)13(9)18-12(15-16-17-18)8-20(19)7-11(3)14/h4-6H,3,7-8H2,1-2H3
InChIKeyWXKMTUXDTRIBBM-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.28
Rot. Bonds5

About 5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole

5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole (PubChem CID 75377603) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole.

Molecular Properties

Compound Name5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole
PubChem CID75377603
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole
SMILESC=C(Cl)CS(=O)Cc1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C13H15ClN4OS/c1-9-5-4-6-10(2)13(9)18-12(15-16-17-18)8-20(19)7-11(3)14/h4-6H,3,7-8H2,1-2H3
InChIKeyWXKMTUXDTRIBBM-UHFFFAOYSA-N
XLogP2.28
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,6-dimethylphenyl)tetrazol-5-yl]methanamine
CID 62736812
2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487800
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione
CID 47068528
3-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 111463888
3-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2,2-dimethylpropyl)amino]propan-1-ol
CID 111107307
5-[(2-chloro-4-nitrophenoxy)methyl]-1-(2,6-dimethylphenyl)tetrazole
CID 60558715
1-(2,6-dimethylphenyl)-5-[(4-nitrophenoxy)methyl]tetrazole
CID 60558969
1-(2,6-dimethylphenyl)-5-methylsulfanyltetrazole
CID 576491
1-(2,6-dimethylphenyl)-5-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole
CID 47068541
3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropan-1-ol
CID 110878049
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
(2S,3R)-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95345367

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole?
The IUPAC name of 5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole (CID 75377603) is 5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole.
What is the SMILES notation for 5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole?
The canonical SMILES for 5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole is C=C(Cl)CS(=O)Cc1nnnn1-c1c(C)cccc1C.
What is the InChIKey of 5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole?
The InChIKey is WXKMTUXDTRIBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-9-5-4-6-10(2)13(9)18-12(15-16-17-18)8-20(19)7-11(3)14/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole?
5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole has a molecular weight of 310.81 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole is sourced from PubChem (CID 75377603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).