3-methylsulfanylheptane;propane

C11H26S — CID 162726510

IUPAC3-methylsulfanylheptane;propane
SMILESCCC.CCCCC(CC)SC
InChIInChI=1S/C8H18S.C3H8/c1-4-6-7-8(5-2)9-3;1-3-2/h8H,4-7H2,1-3H3;3H2,1-2H3
InChIKeySVYYRBMRZOEOOP-UHFFFAOYSA-N
MW190.40 g/mol
LogP4.73
Rot. Bonds5

About 3-methylsulfanylheptane;propane

3-methylsulfanylheptane;propane (PubChem CID 162726510) has the molecular formula C11H26S and a molecular weight of 190.40 g/mol. Its IUPAC name is 3-methylsulfanylheptane;propane.

Molecular Properties

Compound Name3-methylsulfanylheptane;propane
PubChem CID162726510
Molecular FormulaC11H26S
Molecular Weight190.40 g/mol
Exact Mass190.18
IUPAC Name3-methylsulfanylheptane;propane
SMILESCCC.CCCCC(CC)SC
InChIInChI=1S/C8H18S.C3H8/c1-4-6-7-8(5-2)9-3;1-3-2/h8H,4-7H2,1-3H3;3H2,1-2H3
InChIKeySVYYRBMRZOEOOP-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-octan-3-ylsulfanyloctane
CID 15742914
1,2-bis(methylsulfanyl)pentacosane
CID 528999
1,2-bis(methylsulfanyl)octane
CID 54304137
3-(heptan-3-ylsulfanylmethyl)heptane
CID 134593171
3-nonan-3-ylsulfanylnonane
CID 54313022
S-heptan-3-yl ethanethioate
CID 135010806
14-methylsulfanyldocosanoic acid
CID 134128397
2-methylhexane;propane
CID 143695748
dibutyl-ethyl-methylphosphanium
CID 58444360
8-heptadecan-8-ylsulfanylheptadecane
CID 54218677
3,4-dimethyl-2-methylsulfanyloctane
CID 139468538
6,7-diethyldodecane-5,8-diol
CID 166728697

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylheptane;propane?
The IUPAC name of 3-methylsulfanylheptane;propane (CID 162726510) is 3-methylsulfanylheptane;propane.
What is the SMILES notation for 3-methylsulfanylheptane;propane?
The canonical SMILES for 3-methylsulfanylheptane;propane is CCC.CCCCC(CC)SC.
What is the InChIKey of 3-methylsulfanylheptane;propane?
The InChIKey is SVYYRBMRZOEOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S.C3H8/c1-4-6-7-8(5-2)9-3;1-3-2/h8H,4-7H2,1-3H3;3H2,1-2H3.
What are the key properties of 3-methylsulfanylheptane;propane?
3-methylsulfanylheptane;propane has a molecular weight of 190.40 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylheptane;propane is sourced from PubChem (CID 162726510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).