(5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole

C10H9ClN2OS — CID 5469626

IUPAC(5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole
SMILESCCSC1=N/C(=C\c2ccco2)C(Cl)=N1
InChIInChI=1S/C10H9ClN2OS/c1-2-15-10-12-8(9(11)13-10)6-7-4-3-5-14-7/h3-6H,2H2,1H3/b8-6-
InChIKeyHALVAOBVGRUDBD-VURMDHGXSA-N
MW240.72 g/mol
LogP3.38
Rot. Bonds2

About (5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole

(5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole (PubChem CID 5469626) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is (5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole.

Molecular Properties

Compound Name(5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole
PubChem CID5469626
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name(5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole
SMILESCCSC1=N/C(=C\c2ccco2)C(Cl)=N1
InChIInChI=1S/C10H9ClN2OS/c1-2-15-10-12-8(9(11)13-10)6-7-4-3-5-14-7/h3-6H,2H2,1H3/b8-6-
InChIKeyHALVAOBVGRUDBD-VURMDHGXSA-N
XLogP3.38
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole?
The IUPAC name of (5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole (CID 5469626) is (5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole.
What is the SMILES notation for (5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole?
The canonical SMILES for (5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole is CCSC1=N/C(=C\c2ccco2)C(Cl)=N1.
What is the InChIKey of (5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole?
The InChIKey is HALVAOBVGRUDBD-VURMDHGXSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-2-15-10-12-8(9(11)13-10)6-7-4-3-5-14-7/h3-6H,2H2,1H3/b8-6-.
What are the key properties of (5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole?
(5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole has a molecular weight of 240.72 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-chloro-2-ethylsulfanyl-5-(furan-2-ylmethylidene)imidazole is sourced from PubChem (CID 5469626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).