3-(1-methyltetrazol-5-yl)sulfanylaniline

C8H9N5S — CID 60875770

IUPAC3-(1-methyltetrazol-5-yl)sulfanylaniline
SMILESCn1nnnc1Sc1cccc(N)c1
InChIInChI=1S/C8H9N5S/c1-13-8(10-11-12-13)14-7-4-2-3-6(9)5-7/h2-5H,9H2,1H3
InChIKeyAHQHFEXUHBAUKH-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.94
Rot. Bonds2

About 3-(1-methyltetrazol-5-yl)sulfanylaniline

3-(1-methyltetrazol-5-yl)sulfanylaniline (PubChem CID 60875770) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanylaniline.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanylaniline
PubChem CID60875770
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanylaniline
SMILESCn1nnnc1Sc1cccc(N)c1
InChIInChI=1S/C8H9N5S/c1-13-8(10-11-12-13)14-7-4-2-3-6(9)5-7/h2-5H,9H2,1H3
InChIKeyAHQHFEXUHBAUKH-UHFFFAOYSA-N
XLogP0.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 63537729
3-methoxy-5-(1-methyltetrazol-5-yl)sulfanylaniline
CID 80737766
2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylaniline
CID 60789334
6-(1-methyltetrazol-5-yl)sulfanylpyridin-2-amine
CID 80653445
5-(1-methyltetrazol-5-yl)sulfanyl-2-nitroaniline
CID 106752169
5-(4-iodophenyl)sulfanyl-1-methyltetrazole
CID 130196299
4-(1-methyltetrazol-5-yl)sulfanyl-2-propoxyaniline
CID 63678022
3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 43586903
2-methyl-4-(1-methyltetrazol-5-yl)sulfanylbenzoic acid
CID 81293775
2-bromo-4-(1-methyltetrazol-5-yl)sulfanylbenzonitrile
CID 107279701
3-(3-aminophenyl)sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785698
2-chloro-4-(1-methyltetrazol-5-yl)sulfanylbenzonitrile
CID 62946839

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanylaniline?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanylaniline (CID 60875770) is 3-(1-methyltetrazol-5-yl)sulfanylaniline.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanylaniline?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanylaniline is Cn1nnnc1Sc1cccc(N)c1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanylaniline?
The InChIKey is AHQHFEXUHBAUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-13-8(10-11-12-13)14-7-4-2-3-6(9)5-7/h2-5H,9H2,1H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanylaniline?
3-(1-methyltetrazol-5-yl)sulfanylaniline has a molecular weight of 207.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanylaniline is sourced from PubChem (CID 60875770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).