2,5-dimethyl-2,3-dihydro-1,4-dithiine

C6H10S2 — CID 12920058

IUPAC2,5-dimethyl-2,3-dihydro-1,4-dithiine
SMILESCC1=CSC(C)CS1
InChIInChI=1S/C6H10S2/c1-5-3-8-6(2)4-7-5/h3,6H,4H2,1-2H3
InChIKeyZERRJEOSIUQKQQ-UHFFFAOYSA-N
MW146.28 g/mol
LogP2.72
Rot. Bonds

About 2,5-dimethyl-2,3-dihydro-1,4-dithiine

2,5-dimethyl-2,3-dihydro-1,4-dithiine (PubChem CID 12920058) has the molecular formula C6H10S2 and a molecular weight of 146.28 g/mol. Its IUPAC name is 2,5-dimethyl-2,3-dihydro-1,4-dithiine.

Molecular Properties

Compound Name2,5-dimethyl-2,3-dihydro-1,4-dithiine
PubChem CID12920058
Molecular FormulaC6H10S2
Molecular Weight146.28 g/mol
Exact Mass146.02
IUPAC Name2,5-dimethyl-2,3-dihydro-1,4-dithiine
SMILESCC1=CSC(C)CS1
InChIInChI=1S/C6H10S2/c1-5-3-8-6(2)4-7-5/h3,6H,4H2,1-2H3
InChIKeyZERRJEOSIUQKQQ-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,3-dihydro-1,4-dithiine?
The IUPAC name of 2,5-dimethyl-2,3-dihydro-1,4-dithiine (CID 12920058) is 2,5-dimethyl-2,3-dihydro-1,4-dithiine.
What is the SMILES notation for 2,5-dimethyl-2,3-dihydro-1,4-dithiine?
The canonical SMILES for 2,5-dimethyl-2,3-dihydro-1,4-dithiine is CC1=CSC(C)CS1.
What is the InChIKey of 2,5-dimethyl-2,3-dihydro-1,4-dithiine?
The InChIKey is ZERRJEOSIUQKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2/c1-5-3-8-6(2)4-7-5/h3,6H,4H2,1-2H3.
What are the key properties of 2,5-dimethyl-2,3-dihydro-1,4-dithiine?
2,5-dimethyl-2,3-dihydro-1,4-dithiine has a molecular weight of 146.28 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,3-dihydro-1,4-dithiine is sourced from PubChem (CID 12920058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).