6-methyl-2,3-dihydro-1,4-benzodithiine

C9H10S2 — CID 11789864

IUPAC6-methyl-2,3-dihydro-1,4-benzodithiine
SMILESCc1ccc2c(c1)SCCS2
InChIInChI=1S/C9H10S2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-3,6H,4-5H2,1H3
InChIKeyMNJRVBXBCGBZRZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.19
Rot. Bonds

About 6-methyl-2,3-dihydro-1,4-benzodithiine

6-methyl-2,3-dihydro-1,4-benzodithiine (PubChem CID 11789864) has the molecular formula C9H10S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-methyl-2,3-dihydro-1,4-benzodithiine.

Molecular Properties

Compound Name6-methyl-2,3-dihydro-1,4-benzodithiine
PubChem CID11789864
Molecular FormulaC9H10S2
Molecular Weight182.31 g/mol
Exact Mass182.02
IUPAC Name6-methyl-2,3-dihydro-1,4-benzodithiine
SMILESCc1ccc2c(c1)SCCS2
InChIInChI=1S/C9H10S2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-3,6H,4-5H2,1H3
InChIKeyMNJRVBXBCGBZRZ-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydro-1,4-benzodithiine?
The IUPAC name of 6-methyl-2,3-dihydro-1,4-benzodithiine (CID 11789864) is 6-methyl-2,3-dihydro-1,4-benzodithiine.
What is the SMILES notation for 6-methyl-2,3-dihydro-1,4-benzodithiine?
The canonical SMILES for 6-methyl-2,3-dihydro-1,4-benzodithiine is Cc1ccc2c(c1)SCCS2.
What is the InChIKey of 6-methyl-2,3-dihydro-1,4-benzodithiine?
The InChIKey is MNJRVBXBCGBZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-methyl-2,3-dihydro-1,4-benzodithiine?
6-methyl-2,3-dihydro-1,4-benzodithiine has a molecular weight of 182.31 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydro-1,4-benzodithiine is sourced from PubChem (CID 11789864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).