3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole

C11H10S2 — CID 154337332

IUPAC3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole
SMILESc1ccc2c3c(sc2c1)CSCC3
InChIInChI=1S/C11H10S2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4H,5-7H2
InChIKeyJYYGRONLNKSPHT-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.69
Rot. Bonds

About 3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole

3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole (PubChem CID 154337332) has the molecular formula C11H10S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole.

Molecular Properties

Compound Name3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole
PubChem CID154337332
Molecular FormulaC11H10S2
Molecular Weight206.33 g/mol
Exact Mass206.02
IUPAC Name3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole
SMILESc1ccc2c3c(sc2c1)CSCC3
InChIInChI=1S/C11H10S2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4H,5-7H2
InChIKeyJYYGRONLNKSPHT-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine
CID 11355956
4-methyl-2,3,4,5-tetrahydro-1H-[1]benzothiolo[2,3-d]azepine
CID 164872463
8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
CID 154098735
2-methyl-1,3,4,5-tetrahydro-[1]benzothiolo[2,3-c]azepine
CID 155294664
2,3-dihydrocyclopenta[b][1]benzothiol-1-one
CID 57349543
(3aS)-3,3a,4,10-tetrahydro-2H-[1]benzothiolo[2,3-f]indolizin-1-one
CID 101464495
dibenzothiophene;methane
CID 162233710
1H-thiopyrano[3,4-b][1]benzothiole
CID 141092483
2-bromo-3-methyl-3,4-dihydrodibenzothiophene
CID 146554864
bis(dibenzothiophene);ethane
CID 143921746
3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene
CID 154947836
(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine
CID 81453544

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole?
The IUPAC name of 3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole (CID 154337332) is 3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole.
What is the SMILES notation for 3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole?
The canonical SMILES for 3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole is c1ccc2c3c(sc2c1)CSCC3.
What is the InChIKey of 3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole?
The InChIKey is JYYGRONLNKSPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4H,5-7H2.
What are the key properties of 3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole?
3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole has a molecular weight of 206.33 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole is sourced from PubChem (CID 154337332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).