5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole

C9H9ClN4OS — CID 47138145

IUPAC5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole
SMILESC=C(Cl)CSc1nnnn1Cc1ccco1
InChIInChI=1S/C9H9ClN4OS/c1-7(10)6-16-9-11-12-13-14(9)5-8-3-2-4-15-8/h2-4H,1,5-6H2
InChIKeyVUNDTQXHEQIDGY-UHFFFAOYSA-N
MW256.72 g/mol
LogP2.16
Rot. Bonds5

About 5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole

5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole (PubChem CID 47138145) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole
PubChem CID47138145
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole
SMILESC=C(Cl)CSc1nnnn1Cc1ccco1
InChIInChI=1S/C9H9ClN4OS/c1-7(10)6-16-9-11-12-13-14(9)5-8-3-2-4-15-8/h2-4H,1,5-6H2
InChIKeyVUNDTQXHEQIDGY-UHFFFAOYSA-N
XLogP2.16
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)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

N-cyclopropyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 47138151
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 47138148
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 42140180
N-cycloheptyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42140432
N-(2-chlorophenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140636
N-benzyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140656
N-(5-chloro-2-pyridinyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693836
butyl 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47138505
5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 134001576
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 18140834
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 18140670
N-[(4-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693965

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole?
The IUPAC name of 5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole (CID 47138145) is 5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole?
The canonical SMILES for 5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole is C=C(Cl)CSc1nnnn1Cc1ccco1.
What is the InChIKey of 5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole?
The InChIKey is VUNDTQXHEQIDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c1-7(10)6-16-9-11-12-13-14(9)5-8-3-2-4-15-8/h2-4H,1,5-6H2.
What are the key properties of 5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole?
5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole has a molecular weight of 256.72 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole is sourced from PubChem (CID 47138145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).