ethane;1-methylsulfanylcyclohexa-1,3-diene

C9H16S — CID 143073006

IUPACethane;1-methylsulfanylcyclohexa-1,3-diene
SMILESCC.CSC1=CC=CCC1
InChIInChI=1S/C7H10S.C2H6/c1-8-7-5-3-2-4-6-7;1-2/h2-3,5H,4,6H2,1H3;1-2H3
InChIKeyVPKQDHFFLJPECD-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.61
Rot. Bonds1

About ethane;1-methylsulfanylcyclohexa-1,3-diene

ethane;1-methylsulfanylcyclohexa-1,3-diene (PubChem CID 143073006) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is ethane;1-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;1-methylsulfanylcyclohexa-1,3-diene
PubChem CID143073006
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Nameethane;1-methylsulfanylcyclohexa-1,3-diene
SMILESCC.CSC1=CC=CCC1
InChIInChI=1S/C7H10S.C2H6/c1-8-7-5-3-2-4-6-7;1-2/h2-3,5H,4,6H2,1H3;1-2H3
InChIKeyVPKQDHFFLJPECD-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-(2H)-thiapyran
CID 527054
2-Pentylthiapyran
CID 526620
(Z)-7-methylsulfanyl-hept-3-ene
CID 13527978
(E)-1-methylsulfanylhept-3-ene
CID 14024901
(E)-1-methylsulfanyloct-3-ene
CID 14024902
6-ethyl-2H-thiopyran
CID 19737637
1-Propenylpropylsulphide
CID 53869957
Bithiapyranylidene
CID 68503553
1-(Fluoromethylsulfanyl)cyclohexa-1,3-diene
CID 17802282
1-Fluoro-4-methylsulfanylcyclohexa-1,3-diene
CID 23220243
2,6-Difluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 123824784
6-Fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 123972244

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of ethane;1-methylsulfanylcyclohexa-1,3-diene (CID 143073006) is ethane;1-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;1-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for ethane;1-methylsulfanylcyclohexa-1,3-diene is CC.CSC1=CC=CCC1.
What is the InChIKey of ethane;1-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is VPKQDHFFLJPECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S.C2H6/c1-8-7-5-3-2-4-6-7;1-2/h2-3,5H,4,6H2,1H3;1-2H3.
What are the key properties of ethane;1-methylsulfanylcyclohexa-1,3-diene?
ethane;1-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 156.29 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 143073006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).