2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine

C11H20S2 — CID 13203357

IUPAC2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine
SMILESCCCC1=C(CCC)SC(C)CS1
InChIInChI=1S/C11H20S2/c1-4-6-10-11(7-5-2)13-9(3)8-12-10/h9H,4-8H2,1-3H3
InChIKeyABBZAFKMTJQVSR-UHFFFAOYSA-N
MW216.41 g/mol
LogP4.67
Rot. Bonds4

About 2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine

2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine (PubChem CID 13203357) has the molecular formula C11H20S2 and a molecular weight of 216.41 g/mol. Its IUPAC name is 2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine.

Molecular Properties

Compound Name2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine
PubChem CID13203357
Molecular FormulaC11H20S2
Molecular Weight216.41 g/mol
Exact Mass216.10
IUPAC Name2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine
SMILESCCCC1=C(CCC)SC(C)CS1
InChIInChI=1S/C11H20S2/c1-4-6-10-11(7-5-2)13-9(3)8-12-10/h9H,4-8H2,1-3H3
InChIKeyABBZAFKMTJQVSR-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine?
The IUPAC name of 2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine (CID 13203357) is 2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine.
What is the SMILES notation for 2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine?
The canonical SMILES for 2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine is CCCC1=C(CCC)SC(C)CS1.
What is the InChIKey of 2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine?
The InChIKey is ABBZAFKMTJQVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S2/c1-4-6-10-11(7-5-2)13-9(3)8-12-10/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine?
2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine has a molecular weight of 216.41 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-dipropyl-2,3-dihydro-1,4-dithiine is sourced from PubChem (CID 13203357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).