1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole

C11H10Cl2N4S — CID 47124307

IUPAC1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole
SMILESClc1ccc(CSc2nnnn2C2CC2)cc1Cl
InChIInChI=1S/C11H10Cl2N4S/c12-9-4-1-7(5-10(9)13)6-18-11-14-15-16-17(11)8-2-3-8/h1,4-5,8H,2-3,6H2
InChIKeyCMKDKIYZFIVYLW-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.61
Rot. Bonds4

About 1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole

1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole (PubChem CID 47124307) has the molecular formula C11H10Cl2N4S and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole
PubChem CID47124307
Molecular FormulaC11H10Cl2N4S
Molecular Weight301.20 g/mol
Exact Mass300.00
IUPAC Name1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole
SMILESClc1ccc(CSc2nnnn2C2CC2)cc1Cl
InChIInChI=1S/C11H10Cl2N4S/c12-9-4-1-7(5-10(9)13)6-18-11-14-15-16-17(11)8-2-3-8/h1,4-5,8H,2-3,6H2
InChIKeyCMKDKIYZFIVYLW-UHFFFAOYSA-N
XLogP3.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole 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

1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole
CID 9450968
5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62886003
[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 43530530
[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62464170
5-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-cyclopentyltetrazole
CID 9467960
5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-cyclopentyltetrazole
CID 9204616
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,5-dichlorophenyl)ethanone
CID 43231253
3-chloro-4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 102670281
[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-nitrophenyl]hydrazine
CID 62250630
methyl 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoate
CID 26388915
1-cyclopropyl-5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]tetrazole
CID 39536267
2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]propanoic acid
CID 105345079

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole (CID 47124307) is 1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole is Clc1ccc(CSc2nnnn2C2CC2)cc1Cl.
What is the InChIKey of 1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole?
The InChIKey is CMKDKIYZFIVYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4S/c12-9-4-1-7(5-10(9)13)6-18-11-14-15-16-17(11)8-2-3-8/h1,4-5,8H,2-3,6H2.
What are the key properties of 1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole?
1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole has a molecular weight of 301.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 47124307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).