2,2-dimethyl-1,3-dithiane;2-methylpropane

C10H22S2 — CID 144926303

IUPAC2,2-dimethyl-1,3-dithiane;2-methylpropane
SMILESCC(C)C.CC1(C)SCCCS1
InChIInChI=1S/C6H12S2.C4H10/c1-6(2)7-4-3-5-8-6;1-4(2)3/h3-5H2,1-2H3;4H,1-3H3
InChIKeyOSEFQVDXDUNGRG-UHFFFAOYSA-N
MW206.42 g/mol
LogP4.25
Rot. Bonds

About 2,2-dimethyl-1,3-dithiane;2-methylpropane

2,2-dimethyl-1,3-dithiane;2-methylpropane (PubChem CID 144926303) has the molecular formula C10H22S2 and a molecular weight of 206.42 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dithiane;2-methylpropane.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dithiane;2-methylpropane
PubChem CID144926303
Molecular FormulaC10H22S2
Molecular Weight206.42 g/mol
Exact Mass206.12
IUPAC Name2,2-dimethyl-1,3-dithiane;2-methylpropane
SMILESCC(C)C.CC1(C)SCCCS1
InChIInChI=1S/C6H12S2.C4H10/c1-6(2)7-4-3-5-8-6;1-4(2)3/h3-5H2,1-2H3;4H,1-3H3
InChIKeyOSEFQVDXDUNGRG-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane
CID 100961601
(2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol
CID 135069547
2-methyl-1-(2-methylthiolan-2-yl)propan-1-one
CID 81452515
4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butan-2-ol
CID 593950
1,3-dithiane-2,2-dithiol
CID 57493479
(2R)-2-(2-ethyl-1,3-dithian-2-yl)propanal
CID 102311898
2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632
1-(2-methyl-1,3-dithian-2-yl)ethyl 2-methylprop-2-enoate
CID 22891758
2-(dimethylamino)-1,3-dithiane-2-carbothialdehyde
CID 174407339
[2-methyl-1-(2-methylthiolan-2-yl)propyl]hydrazine
CID 105281773
2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol
CID 10989993
3-(2-methyl-1,3-dithian-2-yl)propan-1-amine
CID 12794253

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dithiane;2-methylpropane?
The IUPAC name of 2,2-dimethyl-1,3-dithiane;2-methylpropane (CID 144926303) is 2,2-dimethyl-1,3-dithiane;2-methylpropane.
What is the SMILES notation for 2,2-dimethyl-1,3-dithiane;2-methylpropane?
The canonical SMILES for 2,2-dimethyl-1,3-dithiane;2-methylpropane is CC(C)C.CC1(C)SCCCS1.
What is the InChIKey of 2,2-dimethyl-1,3-dithiane;2-methylpropane?
The InChIKey is OSEFQVDXDUNGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2.C4H10/c1-6(2)7-4-3-5-8-6;1-4(2)3/h3-5H2,1-2H3;4H,1-3H3.
What are the key properties of 2,2-dimethyl-1,3-dithiane;2-methylpropane?
2,2-dimethyl-1,3-dithiane;2-methylpropane has a molecular weight of 206.42 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dithiane;2-methylpropane is sourced from PubChem (CID 144926303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).