methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane

C9H20S2 — CID 134528992

IUPACmethyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane
SMILESCS(=S)CC(C)(C)C(C)(C)C
InChIInChI=1S/C9H20S2/c1-8(2,3)9(4,5)7-11(6)10/h7H2,1-6H3
InChIKeyWQWROSMDBKXJRN-UHFFFAOYSA-N
MW192.39 g/mol
LogP2.77
Rot. Bonds2

About methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane

methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane (PubChem CID 134528992) has the molecular formula C9H20S2 and a molecular weight of 192.39 g/mol. Its IUPAC name is methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane.

Molecular Properties

Compound Namemethyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane
PubChem CID134528992
Molecular FormulaC9H20S2
Molecular Weight192.39 g/mol
Exact Mass192.10
IUPAC Namemethyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane
SMILESCS(=S)CC(C)(C)C(C)(C)C
InChIInChI=1S/C9H20S2/c1-8(2,3)9(4,5)7-11(6)10/h7H2,1-6H3
InChIKeyWQWROSMDBKXJRN-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4,5,5-pentamethylhexan-2-ol
CID 91264056
methylsulfinothioylmethanolate
CID 140800448
1-isothiocyanato-2,2,3,3-tetramethylbutane
CID 130718267
5-ethyl-2,2,3,3,5,6-hexamethylheptane
CID 123276351
2,2,3,3,5,5,6,6,8,8,10,10-dodecamethyldodecane
CID 58975644
2,2,3,3,5-pentamethyl-5-propan-2-ylsulfanylhexane
CID 126627041
tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane
CID 14319346
ethane;2-methylpropane;2,2,3,3-tetramethylpentane
CID 145053606
oxo(2,2,3,3-tetramethylbutyl)sulfanium
CID 174471753
2,2,3,3-tetramethylbutylhydrazine
CID 130727218
N,3,3,4,4-pentamethylpentan-1-amine
CID 81022686
2,2,6,6,7,7-hexamethyloct-3-ene
CID 140627496

Frequently Asked Questions

What is the IUPAC name of methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane?
The IUPAC name of methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane (CID 134528992) is methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane.
What is the SMILES notation for methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane?
The canonical SMILES for methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane is CS(=S)CC(C)(C)C(C)(C)C.
What is the InChIKey of methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane?
The InChIKey is WQWROSMDBKXJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S2/c1-8(2,3)9(4,5)7-11(6)10/h7H2,1-6H3.
What are the key properties of methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane?
methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane has a molecular weight of 192.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane is sourced from PubChem (CID 134528992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).