1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane

C8H14S — CID 123599082

IUPAC1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane
SMILESCSC1C(C)C2CC21C
InChIInChI=1S/C8H14S/c1-5-6-4-8(6,2)7(5)9-3/h5-7H,4H2,1-3H3
InChIKeyKWQCLGRORBTNCW-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.39
Rot. Bonds1

About 1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane

1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane (PubChem CID 123599082) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane
PubChem CID123599082
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane
SMILESCSC1C(C)C2CC21C
InChIInChI=1S/C8H14S/c1-5-6-4-8(6,2)7(5)9-3/h5-7H,4H2,1-3H3
InChIKeyKWQCLGRORBTNCW-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyltricyclo[3.1.0.02,4]hexane
CID 123800109
9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane
CID 123500239
(1R,2R,4S,5R)-4,5-dimethyltricyclo[4.1.0.02,4]heptane
CID 163487184
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
CID 123505279
5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid
CID 163848454
(2R)-1,1-difluoro-2-methylsulfanylcyclopropane
CID 174288663
1,3-dimethylbicyclo[2.1.0]pentane
CID 91176619
2,2,7-trimethylbicyclo[2.2.1]heptane
CID 18669850
1,6-dimethylbicyclo[3.1.0]hexane;methane
CID 173302897
[(1S,7S,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 70639186

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane?
The IUPAC name of 1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane (CID 123599082) is 1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane.
What is the SMILES notation for 1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane?
The canonical SMILES for 1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane is CSC1C(C)C2CC21C.
What is the InChIKey of 1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane?
The InChIKey is KWQCLGRORBTNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-5-6-4-8(6,2)7(5)9-3/h5-7H,4H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane?
1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane has a molecular weight of 142.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane is sourced from PubChem (CID 123599082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).