2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane

C7H16S2 — CID 130862087

IUPAC2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane
SMILESCSCSCC(C)(C)C
InChIInChI=1S/C7H16S2/c1-7(2,3)5-9-6-8-4/h5-6H2,1-4H3
InChIKeyLBTOSLVKIWLRTC-UHFFFAOYSA-N
MW164.34 g/mol
LogP3.09
Rot. Bonds3

About 2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane

2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane (PubChem CID 130862087) has the molecular formula C7H16S2 and a molecular weight of 164.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane.

Molecular Properties

Compound Name2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane
PubChem CID130862087
Molecular FormulaC7H16S2
Molecular Weight164.34 g/mol
Exact Mass164.07
IUPAC Name2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane
SMILESCSCSCC(C)(C)C
InChIInChI=1S/C7H16S2/c1-7(2,3)5-9-6-8-4/h5-6H2,1-4H3
InChIKeyLBTOSLVKIWLRTC-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethylpropylsulfanyl)ethanethiol
CID 146651624
methylsulfanylmethylsulfanylmethanol
CID 20609774
2-methyl-2-(methylsulfanylmethylsulfanyl)propane
CID 126500587
isocyanic acid;methylsulfanyl(methylsulfanylmethylsulfanyl)methane
CID 172776504
2-(methylsulfanylmethylsulfanyl)ethanol
CID 20700707
1-(2,2-dimethylpropylsulfanyl)pentadecane
CID 54178193
1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-2-one
CID 158276182
2,2-difluoro-1-methylsulfanylpropane
CID 87799753
1-(2,2-dimethylpropylsulfanyl)-4,4-dimethyl-3-methylidenepentane
CID 139320332
2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol
CID 127006955
methylsulfanylmethylsulfanylmethoxyethane
CID 131876852
2,2-dimethylpropyl thiocyanate
CID 12714162

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane?
The IUPAC name of 2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane (CID 130862087) is 2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane.
What is the SMILES notation for 2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane?
The canonical SMILES for 2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane is CSCSCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane?
The InChIKey is LBTOSLVKIWLRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S2/c1-7(2,3)5-9-6-8-4/h5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane?
2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane has a molecular weight of 164.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane is sourced from PubChem (CID 130862087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).