1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole

C12H16N4S — CID 121300553

IUPAC1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole
SMILESCSc1nnnn1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H16N4S/c1-12(2,3)9-6-5-7-10(8-9)16-11(17-4)13-14-15-16/h5-8H,1-4H3
InChIKeyNVRYPJTZXVIHFU-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.68
Rot. Bonds2

About 1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole

1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole (PubChem CID 121300553) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole
PubChem CID121300553
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole
SMILESCSc1nnnn1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H16N4S/c1-12(2,3)9-6-5-7-10(8-9)16-11(17-4)13-14-15-16/h5-8H,1-4H3
InChIKeyNVRYPJTZXVIHFU-UHFFFAOYSA-N
XLogP2.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole 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

2-[1-(3-tert-butylphenyl)tetrazol-5-yl]sulfanylpropane-1,3-diol
CID 121300557
1-(3-isocyanatophenyl)-5-methylsulfanyltetrazole
CID 21294230
1-(2,6-dimethylphenyl)-5-methylsulfanyltetrazole
CID 576491
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide
CID 38771727
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole
CID 60519571
methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate
CID 18464638
4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
CID 55603694
5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole
CID 829550
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole?
The IUPAC name of 1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole (CID 121300553) is 1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole.
What is the SMILES notation for 1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole?
The canonical SMILES for 1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole is CSc1nnnn1-c1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole?
The InChIKey is NVRYPJTZXVIHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-12(2,3)9-6-5-7-10(8-9)16-11(17-4)13-14-15-16/h5-8H,1-4H3.
What are the key properties of 1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole?
1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole has a molecular weight of 248.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole is sourced from PubChem (CID 121300553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).