2-methyl-1-(2-methylpropylsulfanyl)propane

C8H18S — CID 11608

IUPAC2-methyl-1-(2-methylpropylsulfanyl)propane
SMILESCC(C)CSCC(C)C
InChIInChI=1S/C8H18S/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCMWSRWTXVQLHNX-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.03
Rot. Bonds4

About 2-methyl-1-(2-methylpropylsulfanyl)propane

2-methyl-1-(2-methylpropylsulfanyl)propane (PubChem CID 11608) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylsulfanyl)propane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylsulfanyl)propane
PubChem CID11608
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Name2-methyl-1-(2-methylpropylsulfanyl)propane
SMILESCC(C)CSCC(C)C
InChIInChI=1S/C8H18S/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCMWSRWTXVQLHNX-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibutyl sulfide
CID 11002
Diamyl sulfide
CID 13382
3,8-Dithiadecane
CID 294545
4,7-Dithiadecane
CID 294546
Isobutyl propyl sulfide
CID 137188
Sulfide, isobutyl isopropyl
CID 292853
4-Thiaoctane
CID 294861
Di-sec-butyl sulphide
CID 522065
Sulfide, butyl isopropyl
CID 522478
tert-Butyl Isopropyl sulfide
CID 525370
sec-Butyl propyl sulfide
CID 525453
Butyl sec-butyl sulfide
CID 525455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropylsulfanyl)propane?
The IUPAC name of 2-methyl-1-(2-methylpropylsulfanyl)propane (CID 11608) is 2-methyl-1-(2-methylpropylsulfanyl)propane.
What is the SMILES notation for 2-methyl-1-(2-methylpropylsulfanyl)propane?
The canonical SMILES for 2-methyl-1-(2-methylpropylsulfanyl)propane is CC(C)CSCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropylsulfanyl)propane?
The InChIKey is CMWSRWTXVQLHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropylsulfanyl)propane?
2-methyl-1-(2-methylpropylsulfanyl)propane has a molecular weight of 146.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylsulfanyl)propane is sourced from PubChem (CID 11608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).