(8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one

C8H12OS2 — CID 10845313

IUPAC(8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one
SMILESC/C1=C/C(=O)CSCCCS1
InChIInChI=1S/C8H12OS2/c1-7-5-8(9)6-10-3-2-4-11-7/h5H,2-4,6H2,1H3/b7-5-
InChIKeyPHDYDPOZJYABBS-ALCCZGGFSA-N
MW188.32 g/mol
LogP2.33
Rot. Bonds

About (8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one

(8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one (PubChem CID 10845313) has the molecular formula C8H12OS2 and a molecular weight of 188.32 g/mol. Its IUPAC name is (8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one.

Molecular Properties

Compound Name(8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one
PubChem CID10845313
Molecular FormulaC8H12OS2
Molecular Weight188.32 g/mol
Exact Mass188.03
IUPAC Name(8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one
SMILESC/C1=C/C(=O)CSCCCS1
InChIInChI=1S/C8H12OS2/c1-7-5-8(9)6-10-3-2-4-11-7/h5H,2-4,6H2,1H3/b7-5-
InChIKeyPHDYDPOZJYABBS-ALCCZGGFSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one?
The IUPAC name of (8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one (CID 10845313) is (8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one.
What is the SMILES notation for (8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one?
The canonical SMILES for (8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one is C/C1=C/C(=O)CSCCCS1.
What is the InChIKey of (8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one?
The InChIKey is PHDYDPOZJYABBS-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12OS2/c1-7-5-8(9)6-10-3-2-4-11-7/h5H,2-4,6H2,1H3/b7-5-.
What are the key properties of (8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one?
(8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one has a molecular weight of 188.32 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-9-methyl-3,4-dihydro-2H-1,5-dithionin-7-one is sourced from PubChem (CID 10845313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).