ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

C10H15NS3 — CID 142135863

IUPACethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCC.CN1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C8H9NS3.C2H6/c1-9-7(10)4-6-5(8(9)11)2-3-12-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyFIHNGSQTKKJBKM-UHFFFAOYSA-N
MW245.44 g/mol
LogP3.25
Rot. Bonds

About ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 142135863) has the molecular formula C10H15NS3 and a molecular weight of 245.44 g/mol. Its IUPAC name is ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Nameethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID142135863
Molecular FormulaC10H15NS3
Molecular Weight245.44 g/mol
Exact Mass245.04
IUPAC Nameethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCC.CN1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C8H9NS3.C2H6/c1-9-7(10)4-6-5(8(9)11)2-3-12-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyFIHNGSQTKKJBKM-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 22085288
5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 87205343
(2E)-N-ethyl-N-methyl-2-(2-sulfanylideneethylidene)thiolane-3-carbothioamide
CID 88873806
5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 89313632
5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 129095718
5-Tert-butyl-4-sulfanyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 142135477
5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135609
3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane
CID 142135778
5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135833
3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 142927887
5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione
CID 142927924
4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione
CID 142927970

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 142135863) is ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is CC.CN1C(=S)C=C2SCCC2C1=S.
What is the InChIKey of ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is FIHNGSQTKKJBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS3.C2H6/c1-9-7(10)4-6-5(8(9)11)2-3-12-6;1-2/h4-5H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 245.44 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 142135863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).