6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione

C10H13NS2 — CID 143079802

IUPAC6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione
SMILESC=C1C=C2SCCCC2C(=S)N1C
InChIInChI=1S/C10H13NS2/c1-7-6-9-8(4-3-5-13-9)10(12)11(7)2/h6,8H,1,3-5H2,2H3
InChIKeyDAFFUDWXOOYFHQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.80
Rot. Bonds

About 6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione

6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione (PubChem CID 143079802) has the molecular formula C10H13NS2 and a molecular weight of 211.35 g/mol. Its IUPAC name is 6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione.

Molecular Properties

Compound Name6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione
PubChem CID143079802
Molecular FormulaC10H13NS2
Molecular Weight211.35 g/mol
Exact Mass211.05
IUPAC Name6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione
SMILESC=C1C=C2SCCCC2C(=S)N1C
InChIInChI=1S/C10H13NS2/c1-7-6-9-8(4-3-5-13-9)10(12)11(7)2/h6,8H,1,3-5H2,2H3
InChIKeyDAFFUDWXOOYFHQ-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
CID 15269806
(2R)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
CID 15939318
6-Methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
CID 142135452
5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione
CID 142927924
Ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
CID 143080088
(2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
CID 101141909

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione?
The IUPAC name of 6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione (CID 143079802) is 6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione.
What is the SMILES notation for 6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione?
The canonical SMILES for 6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione is C=C1C=C2SCCCC2C(=S)N1C.
What is the InChIKey of 6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione?
The InChIKey is DAFFUDWXOOYFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS2/c1-7-6-9-8(4-3-5-13-9)10(12)11(7)2/h6,8H,1,3-5H2,2H3.
What are the key properties of 6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione?
6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione has a molecular weight of 211.35 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione is sourced from PubChem (CID 143079802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).