2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine

C6H8N2S2 — CID 91253009

IUPAC2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine
SMILESC/N=c1\sccs\c1=N/C
InChIInChI=1S/C6H8N2S2/c1-7-5-6(8-2)10-4-3-9-5/h3-4H,1-2H3/b7-5-,8-6-
InChIKeyGZOALLXECPZYDH-SFECMWDFSA-N
MW172.28 g/mol
LogP0.87
Rot. Bonds

About 2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine

2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine (PubChem CID 91253009) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine
PubChem CID91253009
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine
SMILESC/N=c1\sccs\c1=N/C
InChIInChI=1S/C6H8N2S2/c1-7-5-6(8-2)10-4-3-9-5/h3-4H,1-2H3/b7-5-,8-6-
InChIKeyGZOALLXECPZYDH-SFECMWDFSA-N
XLogP0.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,3-N-diethyl-1,4-dithiine-2,3-diimine
CID 91192860
ethenyl N-methylethanimidothioate
CID 88529838
ethane;ethenyl N-methylethanimidothioate
CID 142889079

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine?
The IUPAC name of 2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine (CID 91253009) is 2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine.
What is the SMILES notation for 2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine?
The canonical SMILES for 2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine is C/N=c1\sccs\c1=N/C.
What is the InChIKey of 2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine?
The InChIKey is GZOALLXECPZYDH-SFECMWDFSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-7-5-6(8-2)10-4-3-9-5/h3-4H,1-2H3/b7-5-,8-6-.
What are the key properties of 2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine?
2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine has a molecular weight of 172.28 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine is sourced from PubChem (CID 91253009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).