ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene

C9H20S — CID 144862299

IUPACethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene
SMILESCC.CCC(C)/C=C\SC
InChIInChI=1S/C7H14S.C2H6/c1-4-7(2)5-6-8-3;1-2/h5-7H,4H2,1-3H3;1-2H3/b6-5-;
InChIKeyBXBWXIUVEBWSAN-YSMBQZINSA-N
MW160.33 g/mol
LogP3.94
Rot. Bonds3

About ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene

ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene (PubChem CID 144862299) has the molecular formula C9H20S and a molecular weight of 160.33 g/mol. Its IUPAC name is ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene.

Molecular Properties

Compound Nameethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene
PubChem CID144862299
Molecular FormulaC9H20S
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Nameethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene
SMILESCC.CCC(C)/C=C\SC
InChIInChI=1S/C7H14S.C2H6/c1-4-7(2)5-6-8-3;1-2/h5-7H,4H2,1-3H3;1-2H3/b6-5-;
InChIKeyBXBWXIUVEBWSAN-YSMBQZINSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene?
The IUPAC name of ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene (CID 144862299) is ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene.
What is the SMILES notation for ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene?
The canonical SMILES for ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene is CC.CCC(C)/C=C\SC.
What is the InChIKey of ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene?
The InChIKey is BXBWXIUVEBWSAN-YSMBQZINSA-N. The full InChI is InChI=1S/C7H14S.C2H6/c1-4-7(2)5-6-8-3;1-2/h5-7H,4H2,1-3H3;1-2H3/b6-5-;.
What are the key properties of ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene?
ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene has a molecular weight of 160.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene is sourced from PubChem (CID 144862299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).