1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole

C14H10Cl2N4S — CID 833720

IUPAC1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
SMILESClc1cccc(-n2nnnc2SCc2ccccc2Cl)c1
InChIInChI=1S/C14H10Cl2N4S/c15-11-5-3-6-12(8-11)20-14(17-18-19-20)21-9-10-4-1-2-7-13(10)16/h1-8H,9H2
InChIKeyQACQAGNLNRDPRR-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.26
Rot. Bonds4

About 1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole

1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole (PubChem CID 833720) has the molecular formula C14H10Cl2N4S and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
PubChem CID833720
Molecular FormulaC14H10Cl2N4S
Molecular Weight337.24 g/mol
Exact Mass336.00
IUPAC Name1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
SMILESClc1cccc(-n2nnnc2SCc2ccccc2Cl)c1
InChIInChI=1S/C14H10Cl2N4S/c15-11-5-3-6-12(8-11)20-14(17-18-19-20)21-9-10-4-1-2-7-13(10)16/h1-8H,9H2
InChIKeyQACQAGNLNRDPRR-UHFFFAOYSA-N
XLogP4.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 18122497
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(3-chlorophenyl)tetrazole
CID 8861158
1-(1,3-benzodioxol-5-yl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 5063177
5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline
CID 38873350
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
CID 17437726
8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline
CID 38837928
5-[(2-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 696926
1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
CID 7801928
1-[3-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 8858539
1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8859984

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole (CID 833720) is 1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole is Clc1cccc(-n2nnnc2SCc2ccccc2Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole?
The InChIKey is QACQAGNLNRDPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4S/c15-11-5-3-6-12(8-11)20-14(17-18-19-20)21-9-10-4-1-2-7-13(10)16/h1-8H,9H2.
What are the key properties of 1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole?
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole has a molecular weight of 337.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 833720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).