4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione

C12H19NS3 — CID 165116312

IUPAC4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione
SMILESCSC1(C)C2CCSC2=CC(=S)N1C(C)C
InChIInChI=1S/C12H19NS3/c1-8(2)13-11(14)7-10-9(5-6-16-10)12(13,3)15-4/h7-9H,5-6H2,1-4H3
InChIKeyGUJGDXHJHKAOGS-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.75
Rot. Bonds2

About 4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione

4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione (PubChem CID 165116312) has the molecular formula C12H19NS3 and a molecular weight of 273.49 g/mol. Its IUPAC name is 4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione.

Molecular Properties

Compound Name4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione
PubChem CID165116312
Molecular FormulaC12H19NS3
Molecular Weight273.49 g/mol
Exact Mass273.07
IUPAC Name4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione
SMILESCSC1(C)C2CCSC2=CC(=S)N1C(C)C
InChIInChI=1S/C12H19NS3/c1-8(2)13-11(14)7-10-9(5-6-16-10)12(13,3)15-4/h7-9H,5-6H2,1-4H3
InChIKeyGUJGDXHJHKAOGS-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione with MolForge

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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
5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 89313632
5-Tert-butyl-4-sulfanyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 142135477
5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135833
ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135863
5-(2-methylbutan-2-yl)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 146915300
5-Methyl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione
CID 154549853
5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 155596461
5-Methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 162471297
5-(2,2-Dimethylbutyl)-4-sulfanyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 163910489
5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 164594983

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione?
The IUPAC name of 4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione (CID 165116312) is 4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione.
What is the SMILES notation for 4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione?
The canonical SMILES for 4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione is CSC1(C)C2CCSC2=CC(=S)N1C(C)C.
What is the InChIKey of 4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione?
The InChIKey is GUJGDXHJHKAOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS3/c1-8(2)13-11(14)7-10-9(5-6-16-10)12(13,3)15-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione?
4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione has a molecular weight of 273.49 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione is sourced from PubChem (CID 165116312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).