4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde

C11H10N4OS — CID 55240671

IUPAC4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde
SMILESO=Cc1ccc(Sc2nnnn2C2CC2)cc1
InChIInChI=1S/C11H10N4OS/c16-7-8-1-5-10(6-2-8)17-11-12-13-14-15(11)9-3-4-9/h1-2,5-7,9H,3-4H2
InChIKeyMWCRKZXAFQDJFD-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.97
Rot. Bonds4

About 4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde

4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde (PubChem CID 55240671) has the molecular formula C11H10N4OS and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde
PubChem CID55240671
Molecular FormulaC11H10N4OS
Molecular Weight246.29 g/mol
Exact Mass246.06
IUPAC Name4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde
SMILESO=Cc1ccc(Sc2nnnn2C2CC2)cc1
InChIInChI=1S/C11H10N4OS/c16-7-8-1-5-10(6-2-8)17-11-12-13-14-15(11)9-3-4-9/h1-2,5-7,9H,3-4H2
InChIKeyMWCRKZXAFQDJFD-UHFFFAOYSA-N
XLogP1.97
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1-cyclopropyltetrazol-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

4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methylbenzaldehyde
CID 63803713
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
3-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylbenzaldehyde
CID 81160572
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde
CID 80639438
5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde
CID 114863619
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63804770
2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzoic acid
CID 55153568
5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-nitroaniline
CID 106752180
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylbenzonitrile
CID 81282782
[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol
CID 63814749
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
CID 55132300
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-1-amine
CID 63805118

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde?
The IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde (CID 55240671) is 4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde.
What is the SMILES notation for 4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde?
The canonical SMILES for 4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde is O=Cc1ccc(Sc2nnnn2C2CC2)cc1.
What is the InChIKey of 4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde?
The InChIKey is MWCRKZXAFQDJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c16-7-8-1-5-10(6-2-8)17-11-12-13-14-15(11)9-3-4-9/h1-2,5-7,9H,3-4H2.
What are the key properties of 4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde?
4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde has a molecular weight of 246.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde is sourced from PubChem (CID 55240671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).