2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde

C9H7ClN4OS — CID 63802351

IUPAC2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde
SMILESCn1nnnc1Sc1cccc(Cl)c1C=O
InChIInChI=1S/C9H7ClN4OS/c1-14-9(11-12-13-14)16-8-4-2-3-7(10)6(8)5-15/h2-5H,1H3
InChIKeyQRHPURIYAIHMTF-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.83
Rot. Bonds3

About 2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde

2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde (PubChem CID 63802351) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde
PubChem CID63802351
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde
SMILESCn1nnnc1Sc1cccc(Cl)c1C=O
InChIInChI=1S/C9H7ClN4OS/c1-14-9(11-12-13-14)16-8-4-2-3-7(10)6(8)5-15/h2-5H,1H3
InChIKeyQRHPURIYAIHMTF-UHFFFAOYSA-N
XLogP1.83
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde 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-chloro-6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]benzaldehyde
CID 107783022
N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63805748
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde
CID 63802046
2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylaniline
CID 60789334
2-chloro-6-(4,6-diaminopyrimidin-2-yl)sulfanylbenzaldehyde
CID 55238386
2-chloro-6-(2,5-dimethylphenyl)sulfanylbenzaldehyde
CID 63803719
2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde
CID 59509334
2,6-dichlorobenzaldehyde;ethane
CID 90823593
N-[[3-chloro-4-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 81160685
3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 104778992
2-chloro-6-(2,5-difluorophenyl)sulfanylbenzaldehyde
CID 63804079
2-chloro-6-(3-hydroxybutan-2-ylsulfanyl)benzaldehyde
CID 107772138

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde?
The IUPAC name of 2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde (CID 63802351) is 2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde.
What is the SMILES notation for 2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde?
The canonical SMILES for 2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde is Cn1nnnc1Sc1cccc(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde?
The InChIKey is QRHPURIYAIHMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c1-14-9(11-12-13-14)16-8-4-2-3-7(10)6(8)5-15/h2-5H,1H3.
What are the key properties of 2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde?
2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde has a molecular weight of 254.70 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde is sourced from PubChem (CID 63802351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).