ethane;1-ethylsulfanyl-2-methylpentane

C10H24S — CID 143279191

IUPACethane;1-ethylsulfanyl-2-methylpentane
SMILESCC.CCCC(C)CSCC
InChIInChI=1S/C8H18S.C2H6/c1-4-6-8(3)7-9-5-2;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeySVXLYVPXHVKMAV-UHFFFAOYSA-N
MW176.37 g/mol
LogP4.20
Rot. Bonds5

About ethane;1-ethylsulfanyl-2-methylpentane

ethane;1-ethylsulfanyl-2-methylpentane (PubChem CID 143279191) has the molecular formula C10H24S and a molecular weight of 176.37 g/mol. Its IUPAC name is ethane;1-ethylsulfanyl-2-methylpentane.

Molecular Properties

Compound Nameethane;1-ethylsulfanyl-2-methylpentane
PubChem CID143279191
Molecular FormulaC10H24S
Molecular Weight176.37 g/mol
Exact Mass176.16
IUPAC Nameethane;1-ethylsulfanyl-2-methylpentane
SMILESCC.CCCC(C)CSCC
InChIInChI=1S/C8H18S.C2H6/c1-4-6-8(3)7-9-5-2;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeySVXLYVPXHVKMAV-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methylpentylsulfanyl)butan-2-amine
CID 66232136
1-hydroxysulfanyl-2-methylpentane
CID 144539311
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
(2S)-2-amino-3-(2-methylpentylsulfanyl)propanoic acid
CID 107773647
4-methylheptane;propane
CID 142171269
acetylene;4-methylheptane
CID 143164229
diethyl(1-ethylsulfanylpentan-2-yl)sulfanium
CID 3537630
(2S)-1-ethylsulfanylpropan-2-ol
CID 10866320
2-methyl-2-(2-methylpentylsulfanyl)propanoic acid
CID 81223418
(2R,3S,4S)-2,3,4-trihydroxy-5-(2-methylpentylsulfanyl)pentanal
CID 139654472
(7-ethylsulfanyl-6-methylheptyl)cyclopentane
CID 170850385

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylsulfanyl-2-methylpentane?
The IUPAC name of ethane;1-ethylsulfanyl-2-methylpentane (CID 143279191) is ethane;1-ethylsulfanyl-2-methylpentane.
What is the SMILES notation for ethane;1-ethylsulfanyl-2-methylpentane?
The canonical SMILES for ethane;1-ethylsulfanyl-2-methylpentane is CC.CCCC(C)CSCC.
What is the InChIKey of ethane;1-ethylsulfanyl-2-methylpentane?
The InChIKey is SVXLYVPXHVKMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S.C2H6/c1-4-6-8(3)7-9-5-2;1-2/h8H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethylsulfanyl-2-methylpentane?
ethane;1-ethylsulfanyl-2-methylpentane has a molecular weight of 176.37 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylsulfanyl-2-methylpentane is sourced from PubChem (CID 143279191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).