3-(2-methyltetrazol-5-yl)benzenethiol

C8H8N4S — CID 142338524

IUPAC3-(2-methyltetrazol-5-yl)benzenethiol
SMILESCn1nnc(-c2cccc(S)c2)n1
InChIInChI=1S/C8H8N4S/c1-12-10-8(9-11-12)6-3-2-4-7(13)5-6/h2-5,13H,1H3
InChIKeyJEQLKKHQQHZNAN-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.17
Rot. Bonds1

About 3-(2-methyltetrazol-5-yl)benzenethiol

3-(2-methyltetrazol-5-yl)benzenethiol (PubChem CID 142338524) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-(2-methyltetrazol-5-yl)benzenethiol.

Molecular Properties

Compound Name3-(2-methyltetrazol-5-yl)benzenethiol
PubChem CID142338524
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name3-(2-methyltetrazol-5-yl)benzenethiol
SMILESCn1nnc(-c2cccc(S)c2)n1
InChIInChI=1S/C8H8N4S/c1-12-10-8(9-11-12)6-3-2-4-7(13)5-6/h2-5,13H,1H3
InChIKeyJEQLKKHQQHZNAN-UHFFFAOYSA-N
XLogP1.17
TPSA43.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine
CID 67698857
5-(3,5-dichlorophenyl)-2-methyltetrazole
CID 2730559
(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine
CID 143273250
6-(2-methyltetrazol-5-yl)-1H-benzimidazole
CID 91211393
7-(2-methyltetrazol-5-yl)isoquinoline
CID 171560087
3-[3-(2-methyltetrazol-5-yl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169343159
5-(4-methoxy-3,5-dimethylphenyl)-2-methyltetrazole
CID 14981819
4-(2-methyltetrazol-5-yl)benzenesulfonyl chloride
CID 84806034
2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde
CID 10488996
N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline
CID 165387763
4-methoxy-N-[3-(2-methyltetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118764405
2-methyl-5-[3-[(2S)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]phenyl]tetrazole
CID 172602955

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyltetrazol-5-yl)benzenethiol?
The IUPAC name of 3-(2-methyltetrazol-5-yl)benzenethiol (CID 142338524) is 3-(2-methyltetrazol-5-yl)benzenethiol.
What is the SMILES notation for 3-(2-methyltetrazol-5-yl)benzenethiol?
The canonical SMILES for 3-(2-methyltetrazol-5-yl)benzenethiol is Cn1nnc(-c2cccc(S)c2)n1.
What is the InChIKey of 3-(2-methyltetrazol-5-yl)benzenethiol?
The InChIKey is JEQLKKHQQHZNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-12-10-8(9-11-12)6-3-2-4-7(13)5-6/h2-5,13H,1H3.
What are the key properties of 3-(2-methyltetrazol-5-yl)benzenethiol?
3-(2-methyltetrazol-5-yl)benzenethiol has a molecular weight of 192.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyltetrazol-5-yl)benzenethiol is sourced from PubChem (CID 142338524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).