5-sulfanylbenzene-1,2,3,4-tetracarbonitrile

C10H2N4S — CID 139892615

IUPAC5-sulfanylbenzene-1,2,3,4-tetracarbonitrile
SMILESN#Cc1cc(S)c(C#N)c(C#N)c1C#N
InChIInChI=1S/C10H2N4S/c11-2-6-1-10(15)9(5-14)8(4-13)7(6)3-12/h1,15H
InChIKeyRFWBFGQIDDOKQM-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.46
Rot. Bonds

About 5-sulfanylbenzene-1,2,3,4-tetracarbonitrile

5-sulfanylbenzene-1,2,3,4-tetracarbonitrile (PubChem CID 139892615) has the molecular formula C10H2N4S and a molecular weight of 210.22 g/mol. Its IUPAC name is 5-sulfanylbenzene-1,2,3,4-tetracarbonitrile.

Molecular Properties

Compound Name5-sulfanylbenzene-1,2,3,4-tetracarbonitrile
PubChem CID139892615
Molecular FormulaC10H2N4S
Molecular Weight210.22 g/mol
Exact Mass210.00
IUPAC Name5-sulfanylbenzene-1,2,3,4-tetracarbonitrile
SMILESN#Cc1cc(S)c(C#N)c(C#N)c1C#N
InChIInChI=1S/C10H2N4S/c11-2-6-1-10(15)9(5-14)8(4-13)7(6)3-12/h1,15H
InChIKeyRFWBFGQIDDOKQM-UHFFFAOYSA-N
XLogP1.46
TPSA95.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[(2,3,4,5-tetracyanophenyl)disulfanyl]benzene-1,2,3,4-tetracarbonitrile
CID 139892617
3,4,5-tricyanobenzenethiolate
CID 139250353
6,7-bis(sulfanyl)anthracene-2,3-dicarbonitrile
CID 89212287
benzene-1,2,4,5-tetracarbonitrile
CID 12838
3-chloro-4-sulfanylbenzene-1,2-dicarbonitrile
CID 139641622
(3,4,5-tricyanophenyl)boronic acid
CID 130141628
2-fluoro-4-nitro-6-sulfanylbenzonitrile
CID 171011516
2-sulfanylbenzene-1,3,5-tricarbonitrile
CID 14795337
4-hydroxy-2-sulfanylbenzonitrile
CID 91873860
4-bromo-2-sulfanylbenzonitrile
CID 70106484
6-methylbenzene-1,2,4-tricarbonitrile
CID 101082761
4-fluoro-2-sulfanylbenzonitrile
CID 86722289

Frequently Asked Questions

What is the IUPAC name of 5-sulfanylbenzene-1,2,3,4-tetracarbonitrile?
The IUPAC name of 5-sulfanylbenzene-1,2,3,4-tetracarbonitrile (CID 139892615) is 5-sulfanylbenzene-1,2,3,4-tetracarbonitrile.
What is the SMILES notation for 5-sulfanylbenzene-1,2,3,4-tetracarbonitrile?
The canonical SMILES for 5-sulfanylbenzene-1,2,3,4-tetracarbonitrile is N#Cc1cc(S)c(C#N)c(C#N)c1C#N.
What is the InChIKey of 5-sulfanylbenzene-1,2,3,4-tetracarbonitrile?
The InChIKey is RFWBFGQIDDOKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2N4S/c11-2-6-1-10(15)9(5-14)8(4-13)7(6)3-12/h1,15H.
What are the key properties of 5-sulfanylbenzene-1,2,3,4-tetracarbonitrile?
5-sulfanylbenzene-1,2,3,4-tetracarbonitrile has a molecular weight of 210.22 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanylbenzene-1,2,3,4-tetracarbonitrile is sourced from PubChem (CID 139892615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).