2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile

C22H8N4S — CID 10498724

IUPAC2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1c2ccccc2c(=C(C#N)C#N)c2c1sc1ccccc12
InChIInChI=1S/C22H8N4S/c23-9-13(10-24)19-15-5-1-2-6-16(15)20(14(11-25)12-26)22-21(19)17-7-3-4-8-18(17)27-22/h1-8H
InChIKeyLWPZXYXYCWHVRH-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.60
Rot. Bonds

About 2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile

2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile (PubChem CID 10498724) has the molecular formula C22H8N4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile
PubChem CID10498724
Molecular FormulaC22H8N4S
Molecular Weight360.40 g/mol
Exact Mass360.05
IUPAC Name2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1c2ccccc2c(=C(C#N)C#N)c2c1sc1ccccc12
InChIInChI=1S/C22H8N4S/c23-9-13(10-24)19-15-5-1-2-6-16(15)20(14(11-25)12-26)22-21(19)17-7-3-4-8-18(17)27-22/h1-8H
InChIKeyLWPZXYXYCWHVRH-UHFFFAOYSA-N
XLogP3.60
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1]benzothiolo[3,2-b][1]benzothiole;2-[4-(dicyanomethylidene)-2,5-difluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 139049803
2-fluoreno[4,3-b][1]benzothiol-7-ylidenepropanedinitrile
CID 142501720
4-methyldibenzothiophene-1,3-diol
CID 170237244
2-[9-(dicyanomethylidene)-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiol-4-ylidene]propanedinitrile
CID 177415511
2-(3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzonitrile
CID 145009901
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
[1]benzothiolo[2,3-b][1]benzothiole
CID 683562
2-[4-cyano-11-(dicyanomethylidene)naphtho[2,3-g][2,1,3]benzothiadiazol-6-ylidene]propanedinitrile
CID 169324095
11-(3,5-dibromo-4-hydroxyphenyl)naphtho[2,3-b][1]benzothiole-6-carbonitrile
CID 18687858
9,11,20,22-tetrathiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaene
CID 102289463
2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile
CID 89262869
1-methyldibenzothiophene
CID 23839

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile?
The IUPAC name of 2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile (CID 10498724) is 2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile.
What is the SMILES notation for 2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile?
The canonical SMILES for 2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile is N#CC(C#N)=c1c2ccccc2c(=C(C#N)C#N)c2c1sc1ccccc12.
What is the InChIKey of 2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile?
The InChIKey is LWPZXYXYCWHVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8N4S/c23-9-13(10-24)19-15-5-1-2-6-16(15)20(14(11-25)12-26)22-21(19)17-7-3-4-8-18(17)27-22/h1-8H.
What are the key properties of 2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile?
2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile has a molecular weight of 360.40 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile is sourced from PubChem (CID 10498724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).