2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile

C14H2Cl2N4S2 — CID 177430759

IUPAC2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1cc(Cl)/c(=c2/sc(=C(C#N)C#N)cc2Cl)s1
InChIInChI=1S/C14H2Cl2N4S2/c15-9-1-11(7(3-17)4-18)21-13(9)14-10(16)2-12(22-14)8(5-19)6-20/h1-2H/b14-13-
InChIKeyHBFOIKYBROELEM-YPKPFQOOSA-N
MW361.24 g/mol
LogP2.80
Rot. Bonds

About 2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile

2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile (PubChem CID 177430759) has the molecular formula C14H2Cl2N4S2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile
PubChem CID177430759
Molecular FormulaC14H2Cl2N4S2
Molecular Weight361.24 g/mol
Exact Mass359.91
IUPAC Name2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1cc(Cl)/c(=c2/sc(=C(C#N)C#N)cc2Cl)s1
InChIInChI=1S/C14H2Cl2N4S2/c15-9-1-11(7(3-17)4-18)21-13(9)14-10(16)2-12(22-14)8(5-19)6-20/h1-2H/b14-13-
InChIKeyHBFOIKYBROELEM-YPKPFQOOSA-N
XLogP2.80
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5E)-4-(3,5-difluorophenyl)-5-[3-(3,5-difluorophenyl)-5-(diisocyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile
CID 171734493
2-[(5E)-5-[5-(diisocyanomethylidene)-3-(2,3,4,5,6-pentafluorophenyl)thiophen-2-ylidene]-4-(2,3,4,5,6-pentafluorophenyl)thiophen-2-ylidene]propanedinitrile
CID 171734521
2-[(5E)-5-[5-(diisocyanomethylidene)-3-(2,4,6-trifluorophenyl)thiophen-2-ylidene]-4-(2,4,6-trifluorophenyl)thiophen-2-ylidene]propanedinitrile
CID 171734511
2-[(5E)-5-[5-(diisocyanomethylidene)-3-pyridin-3-ylthiophen-2-ylidene]-4-pyridin-3-ylthiophen-2-ylidene]propanedinitrile
CID 171734471
2-[(5E)-5-[5-(diisocyanomethylidene)-3-(4-ethylphenyl)thiophen-2-ylidene]-4-(4-ethylphenyl)thiophen-2-ylidene]propanedinitrile
CID 171734426
2-[5,10-dibutyl-2-(dicyanomethylidene)-[1]benzothiolo[7,6-g][1]benzothiol-7-ylidene]propanedinitrile
CID 102232592
2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile
CID 88853104
2-[4-[cyano(hydroxy)methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 11465516
2-[2,3,7-trichloro-1-(dicyanomethylidene)azulen-5-ylidene]propanedinitrile
CID 15472497
2-[(2,4,5-trichlorophenyl)sulfanylmethyl]prop-2-enenitrile
CID 13469782
2-[(2Z)-5,6-dichloro-2-[[4-[(Z)-[5,6-dichloro-1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]phenyl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 163647100
2-[2-(dicyanomethylidene)-4,8-bis[4-(trifluoromethoxy)phenyl]thieno[2,3-f][1]benzothiol-6-ylidene]propanedinitrile
CID 146416517

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile (CID 177430759) is 2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile is N#CC(C#N)=c1cc(Cl)/c(=c2/sc(=C(C#N)C#N)cc2Cl)s1.
What is the InChIKey of 2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile?
The InChIKey is HBFOIKYBROELEM-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H2Cl2N4S2/c15-9-1-11(7(3-17)4-18)21-13(9)14-10(16)2-12(22-14)8(5-19)6-20/h1-2H/b14-13-.
What are the key properties of 2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile?
2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile has a molecular weight of 361.24 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-4-chloro-5-[3-chloro-5-(dicyanomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile is sourced from PubChem (CID 177430759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).