(1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide

C8H10N4S2 — CID 134998042

IUPAC(1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide
SMILESCCS/N=C(C#N)/C(C#N)=N/SCC
InChIInChI=1S/C8H10N4S2/c1-3-13-11-7(5-9)8(6-10)12-14-4-2/h3-4H2,1-2H3/b11-7+,12-8+
InChIKeyMHHCEHPSAYAETE-MKICQXMISA-N
MW226.33 g/mol
LogP2.25
Rot. Bonds5

About (1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide

(1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide (PubChem CID 134998042) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is (1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide.

Molecular Properties

Compound Name(1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide
PubChem CID134998042
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name(1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide
SMILESCCS/N=C(C#N)/C(C#N)=N/SCC
InChIInChI=1S/C8H10N4S2/c1-3-13-11-7(5-9)8(6-10)12-14-4-2/h3-4H2,1-2H3/b11-7+,12-8+
InChIKeyMHHCEHPSAYAETE-MKICQXMISA-N
XLogP2.25
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-cyano-2-(2-oxopropylsulfanylimino)acetate
CID 134891403
(1Z,2Z)-N,N'-bis[(4-methoxyphenyl)sulfanyl]ethanediimidoyl dicyanide
CID 134998704
(1E)-N-ethoxy-2-oxobutanimidoyl cyanide
CID 89161000
(diaminomethylideneamino) thiocyanate;ethanol
CID 129073471
(Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium
CID 59905068
2-(2-methylpropylsulfanylmethylidene)propanedinitrile
CID 86138647
2-[bis(ethylsulfanyl)methylidene]-3-oxobutanenitrile
CID 53260993
2-cyano-3,3-bis(ethylsulfanyl)prop-2-enoic acid
CID 172763710
bis(methylsulfanyl)methylidenecyanamide;propane
CID 155718770
methyl (1E)-1-cyano-N-[[(E)-[cyano(methylsulfanyl)methylidene]amino]methyl]methanimidothioate
CID 91873060
bis([(Z)-1,2-dicyano-2-sulfaniumylethenyl]sulfanium);iron(2+);tetraethylazanium
CID 54606892
(1Z)-2-amino-N-(4-ethylsulfanylanilino)-2-iminoethanimidoyl cyanide
CID 172977634

Frequently Asked Questions

What is the IUPAC name of (1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide?
The IUPAC name of (1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide (CID 134998042) is (1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide.
What is the SMILES notation for (1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide?
The canonical SMILES for (1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide is CCS/N=C(C#N)/C(C#N)=N/SCC.
What is the InChIKey of (1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide?
The InChIKey is MHHCEHPSAYAETE-MKICQXMISA-N. The full InChI is InChI=1S/C8H10N4S2/c1-3-13-11-7(5-9)8(6-10)12-14-4-2/h3-4H2,1-2H3/b11-7+,12-8+.
What are the key properties of (1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide?
(1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide has a molecular weight of 226.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2Z)-N,N'-bis(ethylsulfanyl)ethanediimidoyl dicyanide is sourced from PubChem (CID 134998042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).