5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole

C11H9ClN4OS2 — CID 47138148

IUPAC5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
SMILESClc1ccc(CSc2nnnn2Cc2ccco2)s1
InChIInChI=1S/C11H9ClN4OS2/c12-10-4-3-9(19-10)7-18-11-13-14-15-16(11)6-8-2-1-5-17-8/h1-5H,6-7H2
InChIKeyCTSGMUBSNZOOCJ-UHFFFAOYSA-N
MW312.81 g/mol
LogP3.32
Rot. Bonds5

About 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole

5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole (PubChem CID 47138148) has the molecular formula C11H9ClN4OS2 and a molecular weight of 312.81 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
PubChem CID47138148
Molecular FormulaC11H9ClN4OS2
Molecular Weight312.81 g/mol
Exact Mass311.99
IUPAC Name5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
SMILESClc1ccc(CSc2nnnn2Cc2ccco2)s1
InChIInChI=1S/C11H9ClN4OS2/c12-10-4-3-9(19-10)7-18-11-13-14-15-16(11)6-8-2-1-5-17-8/h1-5H,6-7H2
InChIKeyCTSGMUBSNZOOCJ-UHFFFAOYSA-N
XLogP3.32
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.81
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 42140180
5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole
CID 47138145
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 18140859
3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
CID 17451985
5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 134001576
4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 17457985
5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 42140787
N-(2-chlorophenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140636
methyl 2-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]furan-3-carboxylate
CID 31032427
N-(5-chloro-2-pyridinyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693836
2-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-4-methoxy-3,5-dimethylpyridine
CID 56790276
3-(4-ethylphenyl)-5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 18140820

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole (CID 47138148) is 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole is Clc1ccc(CSc2nnnn2Cc2ccco2)s1.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The InChIKey is CTSGMUBSNZOOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4OS2/c12-10-4-3-9(19-10)7-18-11-13-14-15-16(11)6-8-2-1-5-17-8/h1-5H,6-7H2.
What are the key properties of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole has a molecular weight of 312.81 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole is sourced from PubChem (CID 47138148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).