5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole

C12H9ClN4S2 — CID 51140263

IUPAC5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
SMILESClc1ccc(CSc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C12H9ClN4S2/c13-11-7-6-10(19-11)8-18-12-14-15-16-17(12)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyBYHIFCQPXXFHCL-UHFFFAOYSA-N
MW308.82 g/mol
LogP3.67
Rot. Bonds4

About 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole

5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole (PubChem CID 51140263) has the molecular formula C12H9ClN4S2 and a molecular weight of 308.82 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
PubChem CID51140263
Molecular FormulaC12H9ClN4S2
Molecular Weight308.82 g/mol
Exact Mass308.00
IUPAC Name5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
SMILESClc1ccc(CSc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C12H9ClN4S2/c13-11-7-6-10(19-11)8-18-12-14-15-16-17(12)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyBYHIFCQPXXFHCL-UHFFFAOYSA-N
XLogP3.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole
CID 2345708
2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 62047182
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 47138148
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397490
3-(2-chlorophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9033418
3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 687533
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372
5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-2,1,3-benzothiadiazole
CID 836981
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
(5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248515
1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 15140296

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole (CID 51140263) is 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole is Clc1ccc(CSc2nnnn2-c2ccccc2)s1.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole?
The InChIKey is BYHIFCQPXXFHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S2/c13-11-7-6-10(19-11)8-18-12-14-15-16-17(12)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole?
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole has a molecular weight of 308.82 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole is sourced from PubChem (CID 51140263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).