2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane

C10H15NS3 — CID 142135634

IUPAC2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane
SMILESCC.S=C1C=C2SCCCC2C(=S)N1
InChIInChI=1S/C8H9NS3.C2H6/c10-7-4-6-5(8(11)9-7)2-1-3-12-6;1-2/h4-5H,1-3H2,(H,9,10,11);1-2H3
InChIKeyZKYZNYRBZJOJNC-UHFFFAOYSA-N
MW245.44 g/mol
LogP3.30
Rot. Bonds

About 2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane

2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane (PubChem CID 142135634) has the molecular formula C10H15NS3 and a molecular weight of 245.44 g/mol. Its IUPAC name is 2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane.

Molecular Properties

Compound Name2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane
PubChem CID142135634
Molecular FormulaC10H15NS3
Molecular Weight245.44 g/mol
Exact Mass245.04
IUPAC Name2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane
SMILESCC.S=C1C=C2SCCCC2C(=S)N1
InChIInChI=1S/C8H9NS3.C2H6/c10-7-4-6-5(8(11)9-7)2-1-3-12-6;1-2/h4-5H,1-3H2,(H,9,10,11);1-2H3
InChIKeyZKYZNYRBZJOJNC-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-Methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
CID 142135452
Ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
CID 143080088
2,3,4,4a-Tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
CID 142135635

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane?
The IUPAC name of 2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane (CID 142135634) is 2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane.
What is the SMILES notation for 2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane?
The canonical SMILES for 2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane is CC.S=C1C=C2SCCCC2C(=S)N1.
What is the InChIKey of 2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane?
The InChIKey is ZKYZNYRBZJOJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS3.C2H6/c10-7-4-6-5(8(11)9-7)2-1-3-12-6;1-2/h4-5H,1-3H2,(H,9,10,11);1-2H3.
What are the key properties of 2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane?
2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane has a molecular weight of 245.44 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane is sourced from PubChem (CID 142135634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).