5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole

C14H10BrClN4S — CID 7856912

IUPAC5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2SCc2cccc(Br)c2)cc1
InChIInChI=1S/C14H10BrClN4S/c15-11-3-1-2-10(8-11)9-21-14-17-18-19-20(14)13-6-4-12(16)5-7-13/h1-8H,9H2
InChIKeyAKCBCGMGPGGAMS-UHFFFAOYSA-N
MW381.69 g/mol
LogP4.37
Rot. Bonds4

About 5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole

5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole (PubChem CID 7856912) has the molecular formula C14H10BrClN4S and a molecular weight of 381.69 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole.

Molecular Properties

Compound Name5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole
PubChem CID7856912
Molecular FormulaC14H10BrClN4S
Molecular Weight381.69 g/mol
Exact Mass379.95
IUPAC Name5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2SCc2cccc(Br)c2)cc1
InChIInChI=1S/C14H10BrClN4S/c15-11-3-1-2-10(8-11)9-21-14-17-18-19-20(14)13-6-4-12(16)5-7-13/h1-8H,9H2
InChIKeyAKCBCGMGPGGAMS-UHFFFAOYSA-N
XLogP4.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.69
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 35164812
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
1-bromo-3-[(4-chlorophenyl)sulfanylmethyl]benzene
CID 60625566
4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-bromobenzoate
CID 3872429
1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
CID 11291381
5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615935
2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 62047182
5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole
CID 2231014
5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1-(3-chlorophenyl)tetrazole
CID 8861502
2-(4-bromophenyl)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 16535773
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
CID 7562922
4-[5-[(2-chloro-4-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 62044804

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole?
The IUPAC name of 5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole (CID 7856912) is 5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole.
What is the SMILES notation for 5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole?
The canonical SMILES for 5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole is Clc1ccc(-n2nnnc2SCc2cccc(Br)c2)cc1.
What is the InChIKey of 5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole?
The InChIKey is AKCBCGMGPGGAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4S/c15-11-3-1-2-10(8-11)9-21-14-17-18-19-20(14)13-6-4-12(16)5-7-13/h1-8H,9H2.
What are the key properties of 5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole?
5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole has a molecular weight of 381.69 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole is sourced from PubChem (CID 7856912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).