5-methyl-2-propylsulfanylcyclohexa-1,3-diene

C10H16S — CID 123417139

IUPAC5-methyl-2-propylsulfanylcyclohexa-1,3-diene
SMILESCCCSC1=CCC(C)C=C1
InChIInChI=1S/C10H16S/c1-3-8-11-10-6-4-9(2)5-7-10/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyBDJVLWCUYDQMTN-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.61
Rot. Bonds3

About 5-methyl-2-propylsulfanylcyclohexa-1,3-diene

5-methyl-2-propylsulfanylcyclohexa-1,3-diene (PubChem CID 123417139) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 5-methyl-2-propylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-2-propylsulfanylcyclohexa-1,3-diene
PubChem CID123417139
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name5-methyl-2-propylsulfanylcyclohexa-1,3-diene
SMILESCCCSC1=CCC(C)C=C1
InChIInChI=1S/C10H16S/c1-3-8-11-10-6-4-9(2)5-7-10/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyBDJVLWCUYDQMTN-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-ditert-butyl-2H-thiopyran
CID 12513623
3a,7a-Dihydro-1-benzothiophene
CID 18380278
6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran
CID 67802537
2-Fluoro-5-(2-methylbutan-2-ylsulfanyl)cyclohexa-1,3-diene
CID 68058112
(E)-3-fluoro-7-methyl-5-methylidene-8-prop-2-enylsulfanyloct-3-ene
CID 89247481
1-(Fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene
CID 123280775
6-Fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 123972244
4-Fluoro-1-(2-fluoropropylsulfanyl)-2,5-dimethylcyclohexa-1,3-diene
CID 134569680
1-Fluoro-6-methyl-2-(propylsulfanylmethyl)cyclohexa-1,3-diene
CID 139457569
(Z)-5-fluoro-6-methyl-1-methylsulfanylhept-3-ene
CID 144197213
2-(Ethylsulfanylmethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 156896275
(5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine
CID 166823929

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 5-methyl-2-propylsulfanylcyclohexa-1,3-diene (CID 123417139) is 5-methyl-2-propylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-2-propylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-2-propylsulfanylcyclohexa-1,3-diene is CCCSC1=CCC(C)C=C1.
What is the InChIKey of 5-methyl-2-propylsulfanylcyclohexa-1,3-diene?
The InChIKey is BDJVLWCUYDQMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-3-8-11-10-6-4-9(2)5-7-10/h4,6-7,9H,3,5,8H2,1-2H3.
What are the key properties of 5-methyl-2-propylsulfanylcyclohexa-1,3-diene?
5-methyl-2-propylsulfanylcyclohexa-1,3-diene has a molecular weight of 168.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 123417139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).