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

C11H8S2 — CID 141092483

IUPAC1H-thiopyrano[3,4-b][1]benzothiole
SMILESC1=Cc2c(sc3ccccc23)CS1
InChIInChI=1S/C11H8S2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-6H,7H2
InChIKeyUSXRPYPMTRGUND-UHFFFAOYSA-N
MW204.32 g/mol
LogP4.12
Rot. Bonds

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

1H-thiopyrano[3,4-b][1]benzothiole (PubChem CID 141092483) has the molecular formula C11H8S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1H-thiopyrano[3,4-b][1]benzothiole.

Molecular Properties

Compound Name1H-thiopyrano[3,4-b][1]benzothiole
PubChem CID141092483
Molecular FormulaC11H8S2
Molecular Weight204.32 g/mol
Exact Mass204.01
IUPAC Name1H-thiopyrano[3,4-b][1]benzothiole
SMILESC1=Cc2c(sc3ccccc23)CS1
InChIInChI=1S/C11H8S2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-6H,7H2
InChIKeyUSXRPYPMTRGUND-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-methyl-3,4-dihydrodibenzothiophene
CID 146554864
3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole
CID 154337332
dibenzothiophene;methane
CID 162233710
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride
CID 143017928
bis(dibenzothiophene);ethane
CID 143921746
thieno[3,2-b][1]benzothiole
CID 605457
2-nitro-3,4-dihydrodibenzothiophene
CID 146764881
1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine
CID 11355956
2,3-dihydrocyclopenta[b][1]benzothiol-1-one
CID 57349543
dibenzothiophene;formaldehyde
CID 20556925
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
CID 15554848

Frequently Asked Questions

What is the IUPAC name of 1H-thiopyrano[3,4-b][1]benzothiole?
The IUPAC name of 1H-thiopyrano[3,4-b][1]benzothiole (CID 141092483) is 1H-thiopyrano[3,4-b][1]benzothiole.
What is the SMILES notation for 1H-thiopyrano[3,4-b][1]benzothiole?
The canonical SMILES for 1H-thiopyrano[3,4-b][1]benzothiole is C1=Cc2c(sc3ccccc23)CS1.
What is the InChIKey of 1H-thiopyrano[3,4-b][1]benzothiole?
The InChIKey is USXRPYPMTRGUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8S2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-6H,7H2.
What are the key properties of 1H-thiopyrano[3,4-b][1]benzothiole?
1H-thiopyrano[3,4-b][1]benzothiole has a molecular weight of 204.32 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-thiopyrano[3,4-b][1]benzothiole is sourced from PubChem (CID 141092483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).