5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole

C14H10Cl2N4S — CID 6483374

IUPAC5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2SCc2ccccc2)cc1Cl
InChIInChI=1S/C14H10Cl2N4S/c15-12-7-6-11(8-13(12)16)20-14(17-18-19-20)21-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyDOEHWXYFSQTRNK-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.26
Rot. Bonds4

About 5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole

5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole (PubChem CID 6483374) has the molecular formula C14H10Cl2N4S and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole.

Molecular Properties

Compound Name5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole
PubChem CID6483374
Molecular FormulaC14H10Cl2N4S
Molecular Weight337.24 g/mol
Exact Mass336.00
IUPAC Name5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2SCc2ccccc2)cc1Cl
InChIInChI=1S/C14H10Cl2N4S/c15-12-7-6-11(8-13(12)16)20-14(17-18-19-20)21-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyDOEHWXYFSQTRNK-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

5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole
CID 684006
1-(3-chloro-4-methylphenyl)-5-(methylthio)-1H-tetrazole
CID 2892293
4-[1-(3-Chloro-phenyl)-1H-tetrazol-5-ylsulfanyl]-butyronitrile
CID 592588
1-(3,4-dichlorophenyl)-5-phenyl-1H-tetrazole
CID 773470
N-(2-chlorobenzyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 8035321
1-(3,4-Dichlorophenyl)-5-[(3,5-dinitrophenyl)methylsulfanyl]tetrazole
CID 90683168
5-[(3,4-Dichlorophenyl)methylsulfanyl]-1-(3,5-dinitrophenyl)tetrazole
CID 137633089
5-[(2-Chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 696926
N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine
CID 54582682
1-(3-Chloro-phenyl)-5-(4-fluoro-benzylsulfanyl)-1H-tetrazole
CID 572917
Tetrazole, 5-(4-chlorobenzylthio)-1-(3-chloro-4-fluorophenyl)-
CID 580401
5-[(2-chlorobenzyl)thio]-1-(2-fluorophenyl)-1H-tetrazole
CID 701401

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole?
The IUPAC name of 5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole (CID 6483374) is 5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole.
What is the SMILES notation for 5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole?
The canonical SMILES for 5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole is Clc1ccc(-n2nnnc2SCc2ccccc2)cc1Cl.
What is the InChIKey of 5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole?
The InChIKey is DOEHWXYFSQTRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4S/c15-12-7-6-11(8-13(12)16)20-14(17-18-19-20)21-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole?
5-benzylsulfanyl-1-(3,4-dichlorophenyl)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 5-benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole is sourced from PubChem (CID 6483374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).