1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole

C12H16N4S — CID 2480677

IUPAC1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole
SMILESCc1ccccc1-n1nnnc1SCC(C)C
InChIInChI=1S/C12H16N4S/c1-9(2)8-17-12-13-14-15-16(12)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
InChIKeyULOXTMFUXGEQAO-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole

1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole (PubChem CID 2480677) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole
PubChem CID2480677
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole
SMILESCc1ccccc1-n1nnnc1SCC(C)C
InChIInChI=1S/C12H16N4S/c1-9(2)8-17-12-13-14-15-16(12)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
InChIKeyULOXTMFUXGEQAO-UHFFFAOYSA-N
XLogP2.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole
CID 684006
1H-1,2,3,4-Tetrazole, 1-(3-methylphenyl)-5-(methylsulfonyl)-
CID 5299256
1-(2,6-Dimethylphenyl)-5-methylsulfanyltetrazole
CID 576491
Stk291648
CID 4424052
1-Mesityl-5-(methylthio)-1H-tetrazole
CID 2725598
1-phenyl-5-phenylmethanesulfonyl-1H-1,2,3,4-tetrazole
CID 6618807
isopropyl 1-mesityl-1H-tetraazol-5-yl sulfide
CID 465091
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
2-[1-(4-Methylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 2615933
5-[(2-fluorobenzyl)thio]-1-(2-fluorophenyl)-1H-tetrazole
CID 777329
5-[(3-Methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 877459
2-[1-(2,4-Dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 939027

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole?
The IUPAC name of 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole (CID 2480677) is 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole.
What is the SMILES notation for 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole?
The canonical SMILES for 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole is Cc1ccccc1-n1nnnc1SCC(C)C.
What is the InChIKey of 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole?
The InChIKey is ULOXTMFUXGEQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9(2)8-17-12-13-14-15-16(12)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole?
1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole has a molecular weight of 248.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole is sourced from PubChem (CID 2480677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).