4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine

C14H20N2S4 — CID 101108238

IUPAC4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine
SMILESCN(C)C1=C(N(C)C)SC(=C2SC3=C(CCCC3)S2)S1
InChIInChI=1S/C14H20N2S4/c1-15(2)11-12(16(3)4)20-14(19-11)13-17-9-7-5-6-8-10(9)18-13/h5-8H2,1-4H3
InChIKeyMXNKCLFFQRUWQK-UHFFFAOYSA-N
MW344.60 g/mol
LogP5.11
Rot. Bonds2

About 4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine

4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine (PubChem CID 101108238) has the molecular formula C14H20N2S4 and a molecular weight of 344.60 g/mol. Its IUPAC name is 4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine
PubChem CID101108238
Molecular FormulaC14H20N2S4
Molecular Weight344.60 g/mol
Exact Mass344.05
IUPAC Name4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine
SMILESCN(C)C1=C(N(C)C)SC(=C2SC3=C(CCCC3)S2)S1
InChIInChI=1S/C14H20N2S4/c1-15(2)11-12(16(3)4)20-14(19-11)13-17-9-7-5-6-8-10(9)18-13/h5-8H2,1-4H3
InChIKeyMXNKCLFFQRUWQK-UHFFFAOYSA-N
XLogP5.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.60
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine?
The IUPAC name of 4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine (CID 101108238) is 4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine.
What is the SMILES notation for 4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine?
The canonical SMILES for 4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine is CN(C)C1=C(N(C)C)SC(=C2SC3=C(CCCC3)S2)S1.
What is the InChIKey of 4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine?
The InChIKey is MXNKCLFFQRUWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S4/c1-15(2)11-12(16(3)4)20-14(19-11)13-17-9-7-5-6-8-10(9)18-13/h5-8H2,1-4H3.
What are the key properties of 4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine?
4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine has a molecular weight of 344.60 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-N,5-N-tetramethyl-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-dithiole-4,5-diamine is sourced from PubChem (CID 101108238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).