5-methyl-5-propyl-1,3-dithiane

C8H16S2 — CID 15272114

IUPAC5-methyl-5-propyl-1,3-dithiane
SMILESCCCC1(C)CSCSC1
InChIInChI=1S/C8H16S2/c1-3-4-8(2)5-9-7-10-6-8/h3-7H2,1-2H3
InChIKeyWDZJZIPQSDKHSS-UHFFFAOYSA-N
MW176.35 g/mol
LogP3.23
Rot. Bonds2

About 5-methyl-5-propyl-1,3-dithiane

5-methyl-5-propyl-1,3-dithiane (PubChem CID 15272114) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is 5-methyl-5-propyl-1,3-dithiane.

Molecular Properties

Compound Name5-methyl-5-propyl-1,3-dithiane
PubChem CID15272114
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name5-methyl-5-propyl-1,3-dithiane
SMILESCCCC1(C)CSCSC1
InChIInChI=1S/C8H16S2/c1-3-4-8(2)5-9-7-10-6-8/h3-7H2,1-2H3
InChIKeyWDZJZIPQSDKHSS-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dipropyl-1,3-dithiane
CID 89275819
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
CID 156713855
1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
3-methyl-3-propylcyclobutan-1-ol
CID 176695385
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
3-methyl-3-propylbicyclo[4.2.0]octane
CID 148753251
5-methyl-2-(4-pentylcyclohexyl)-5-propyl-1,3-dithiane
CID 18611740
4-ethyl-4-methylthiane
CID 59452376
(3S)-3-methyl-3-propylpyrrolidine
CID 94411768
3-methyl-3-propylpyrrolidine
CID 22393542
(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propyl-1,3-dithiane?
The IUPAC name of 5-methyl-5-propyl-1,3-dithiane (CID 15272114) is 5-methyl-5-propyl-1,3-dithiane.
What is the SMILES notation for 5-methyl-5-propyl-1,3-dithiane?
The canonical SMILES for 5-methyl-5-propyl-1,3-dithiane is CCCC1(C)CSCSC1.
What is the InChIKey of 5-methyl-5-propyl-1,3-dithiane?
The InChIKey is WDZJZIPQSDKHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2/c1-3-4-8(2)5-9-7-10-6-8/h3-7H2,1-2H3.
What are the key properties of 5-methyl-5-propyl-1,3-dithiane?
5-methyl-5-propyl-1,3-dithiane has a molecular weight of 176.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propyl-1,3-dithiane is sourced from PubChem (CID 15272114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).