1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole

C9H7ClN8S — CID 2925229

IUPAC1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole
SMILESClc1ccc(-n2nnnc2SCc2nn[nH]n2)cc1
InChIInChI=1S/C9H7ClN8S/c10-6-1-3-7(4-2-6)18-9(13-16-17-18)19-5-8-11-14-15-12-8/h1-4H,5H2,(H,11,12,14,15)
InChIKeyXWWAONXOFVNULU-UHFFFAOYSA-N
MW294.73 g/mol
LogP1.12
Rot. Bonds4

About 1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole

1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole (PubChem CID 2925229) has the molecular formula C9H7ClN8S and a molecular weight of 294.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole
PubChem CID2925229
Molecular FormulaC9H7ClN8S
Molecular Weight294.73 g/mol
Exact Mass294.02
IUPAC Name1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole
SMILESClc1ccc(-n2nnnc2SCc2nn[nH]n2)cc1
InChIInChI=1S/C9H7ClN8S/c10-6-1-3-7(4-2-6)18-9(13-16-17-18)19-5-8-11-14-15-12-8/h1-4H,5H2,(H,11,12,14,15)
InChIKeyXWWAONXOFVNULU-UHFFFAOYSA-N
XLogP1.12
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-chlorophenyl)-5-(methylthio)-1H-tetrazole
CID 1243254
6-[[[1-(4-chlorophenyl)-5-tetrazolyl]thio]methyl]-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
CID 17564913
1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole
CID 1227007
1-(4-chlorophenyl)-5-(propan-2-ylsulfanyl)-1H-tetrazole
CID 828949
Cambridge id 5837518
CID 840133
Cambridge id 5530708
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Cambridge id 6047944
CID 26772408
1-(4-Chlorophenyl)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]disulfanyl]tetrazole
CID 463089
(1-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-yl)ethyl sulfide
CID 14551620
1-(4-Chloro-2-fluorophenyl)-5-[2-[2-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole
CID 53723451
1-(4-Chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole
CID 70385811
5-(Allylthio)-1-(4-chlorophenyl)-1h-tetrazole
CID 5011706

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole (CID 2925229) is 1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole is Clc1ccc(-n2nnnc2SCc2nn[nH]n2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
The InChIKey is XWWAONXOFVNULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN8S/c10-6-1-3-7(4-2-6)18-9(13-16-17-18)19-5-8-11-14-15-12-8/h1-4H,5H2,(H,11,12,14,15).
What are the key properties of 1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole has a molecular weight of 294.73 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole is sourced from PubChem (CID 2925229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).