4-methyl-1-propylsulfanylcyclohexene

C10H18S — CID 123603397

IUPAC4-methyl-1-propylsulfanylcyclohexene
SMILESCCCSC1=CCC(C)CC1
InChIInChI=1S/C10H18S/c1-3-8-11-10-6-4-9(2)5-7-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyGDIZGKWLQJTFIK-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.83
Rot. Bonds3

About 4-methyl-1-propylsulfanylcyclohexene

4-methyl-1-propylsulfanylcyclohexene (PubChem CID 123603397) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 4-methyl-1-propylsulfanylcyclohexene.

Molecular Properties

Compound Name4-methyl-1-propylsulfanylcyclohexene
PubChem CID123603397
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name4-methyl-1-propylsulfanylcyclohexene
SMILESCCCSC1=CCC(C)CC1
InChIInChI=1S/C10H18S/c1-3-8-11-10-6-4-9(2)5-7-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyGDIZGKWLQJTFIK-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-1-propylsulfanylcyclohexene with MolForge

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

Launch Full Analysis

Related Compounds

Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
6-Methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
CID 15625911
Methyl(2-(4-methylcyclohex-3-en-1-yl)propyl)sulfane
CID 134128395
5-Cyclohexyl-2,3-dihydrothiophene
CID 10899091
5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3-(Methylsulfanylmethyl)cyclohexene
CID 12936957
1-Pentylsulfanylethenylcyclohexane
CID 58150596
Hexahydro-benzo[b]thiophene
CID 67855462
5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
CID 68347668
Isobutyldithiopyrylmethan
CID 129890356
1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene
CID 375769
2-(2-Fluoronona-1,5-dien-4-yl)thietane
CID 91247320

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propylsulfanylcyclohexene?
The IUPAC name of 4-methyl-1-propylsulfanylcyclohexene (CID 123603397) is 4-methyl-1-propylsulfanylcyclohexene.
What is the SMILES notation for 4-methyl-1-propylsulfanylcyclohexene?
The canonical SMILES for 4-methyl-1-propylsulfanylcyclohexene is CCCSC1=CCC(C)CC1.
What is the InChIKey of 4-methyl-1-propylsulfanylcyclohexene?
The InChIKey is GDIZGKWLQJTFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-3-8-11-10-6-4-9(2)5-7-10/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 4-methyl-1-propylsulfanylcyclohexene?
4-methyl-1-propylsulfanylcyclohexene has a molecular weight of 170.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propylsulfanylcyclohexene is sourced from PubChem (CID 123603397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).