3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile

C8H6N4S2 — CID 10966097

IUPAC3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile
SMILESN#CC1C(=S)N=C(N)c2c1csc2N
InChIInChI=1S/C8H6N4S2/c9-1-3-4-2-14-7(11)5(4)6(10)12-8(3)13/h2-3H,11H2,(H2,10,12,13)
InChIKeyRPBKEODQOAZUSG-UHFFFAOYSA-N
MW222.30 g/mol
LogP0.98
Rot. Bonds

About 3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile

3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile (PubChem CID 10966097) has the molecular formula C8H6N4S2 and a molecular weight of 222.30 g/mol. Its IUPAC name is 3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile
PubChem CID10966097
Molecular FormulaC8H6N4S2
Molecular Weight222.30 g/mol
Exact Mass222.00
IUPAC Name3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile
SMILESN#CC1C(=S)N=C(N)c2c1csc2N
InChIInChI=1S/C8H6N4S2/c9-1-3-4-2-14-7(11)5(4)6(10)12-8(3)13/h2-3H,11H2,(H2,10,12,13)
InChIKeyRPBKEODQOAZUSG-UHFFFAOYSA-N
XLogP0.98
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile?
The IUPAC name of 3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile (CID 10966097) is 3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile.
What is the SMILES notation for 3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile?
The canonical SMILES for 3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile is N#CC1C(=S)N=C(N)c2c1csc2N.
What is the InChIKey of 3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile?
The InChIKey is RPBKEODQOAZUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S2/c9-1-3-4-2-14-7(11)5(4)6(10)12-8(3)13/h2-3H,11H2,(H2,10,12,13).
What are the key properties of 3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile?
3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile has a molecular weight of 222.30 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile is sourced from PubChem (CID 10966097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).