1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole

C10H11ClN4S — CID 828949

IUPAC1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole
SMILESCC(C)Sc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN4S/c1-7(2)16-10-12-13-14-15(10)9-5-3-8(11)4-6-9/h3-7H,1-2H3
InChIKeyIVNMCKIWZIRBEB-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole

1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole (PubChem CID 828949) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole
PubChem CID828949
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole
SMILESCC(C)Sc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN4S/c1-7(2)16-10-12-13-14-15(10)9-5-3-8(11)4-6-9/h3-7H,1-2H3
InChIKeyIVNMCKIWZIRBEB-UHFFFAOYSA-N
XLogP2.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-1H-tetrazole
CID 270006
Stk291648
CID 4424052
2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 2223242
1-(3-chlorophenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731962
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
1-(3-chloro-4-methylphenyl)-5-(methylthio)-1H-tetrazole
CID 2892293
4-[1-(3-Chloro-phenyl)-1H-tetrazol-5-ylsulfanyl]-butyronitrile
CID 592588
2-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethylsulfanyl]-6-methyl-pyrimidin-4-ol
CID 135497941
1-[4-Chlorophenyl]-N,N-dimethyl-1H-tetrazol-5-amine
CID 539378
N-[1-(2,4-dichlorophenyl)-1H-1,2,3,4-tetraazol-5-yl]-N,N-dimethylamine
CID 1475255
1H-Tetrazole, 1-(4-chlorophenyl)-5-methyl-
CID 581477
5-Ethylsulfonyl-1-phenyl-1H-tetrazole
CID 753662

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole (CID 828949) is 1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole is CC(C)Sc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole?
The InChIKey is IVNMCKIWZIRBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-7(2)16-10-12-13-14-15(10)9-5-3-8(11)4-6-9/h3-7H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole?
1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole has a molecular weight of 254.75 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-propan-2-ylsulfanyltetrazole is sourced from PubChem (CID 828949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).