8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine

C10H14OS3 — CID 129198517

IUPAC8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine
SMILESCc1sc(C)c2c1SCCOCCS2
InChIInChI=1S/C10H14OS3/c1-7-9-10(8(2)14-7)13-6-4-11-3-5-12-9/h3-6H2,1-2H3
InChIKeyBIZSUNANOBVUIN-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.58
Rot. Bonds

About 8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine

8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine (PubChem CID 129198517) has the molecular formula C10H14OS3 and a molecular weight of 246.42 g/mol. Its IUPAC name is 8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine.

Molecular Properties

Compound Name8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine
PubChem CID129198517
Molecular FormulaC10H14OS3
Molecular Weight246.42 g/mol
Exact Mass246.02
IUPAC Name8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine
SMILESCc1sc(C)c2c1SCCOCCS2
InChIInChI=1S/C10H14OS3/c1-7-9-10(8(2)14-7)13-6-4-11-3-5-12-9/h3-6H2,1-2H3
InChIKeyBIZSUNANOBVUIN-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane
CID 91557080
10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine
CID 161253560
5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione
CID 10347128
5,8,11,14-tetraoxa-2,17,19,21-tetrathiabicyclo[16.3.0]henicos-1(18)-ene-20-thione
CID 15044106
(14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile
CID 11078461
20-[10-(4,5-dimethyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-5,8,11,14-tetraoxa-2,17,19,21-tetrathiabicyclo[16.3.0]henicos-1(18)-ene
CID 15528383
dimethyl 6,9-dioxa-3,12,15,16-tetrathiabicyclo[12.1.1]hexadeca-1,13-diene-2,13-dicarbodithioate
CID 10874422
1,4-oxathiane
CID 157277006
2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole
CID 139202614
1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane
CID 520450
1,4,7,10-tetraoxa-13-thiacyclopentadecane
CID 12661564
1-oxa-4,7,10,13-tetrathiacyclopentadecane
CID 12872708

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine?
The IUPAC name of 8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine (CID 129198517) is 8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine.
What is the SMILES notation for 8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine?
The canonical SMILES for 8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine is Cc1sc(C)c2c1SCCOCCS2.
What is the InChIKey of 8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine?
The InChIKey is BIZSUNANOBVUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS3/c1-7-9-10(8(2)14-7)13-6-4-11-3-5-12-9/h3-6H2,1-2H3.
What are the key properties of 8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine?
8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine has a molecular weight of 246.42 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine is sourced from PubChem (CID 129198517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).