2-methyl-4-(2-methylpropyl)thiolane

C9H18S — CID 57202596

IUPAC2-methyl-4-(2-methylpropyl)thiolane
SMILESCC(C)CC1CSC(C)C1
InChIInChI=1S/C9H18S/c1-7(2)4-9-5-8(3)10-6-9/h7-9H,4-6H2,1-3H3
InChIKeyCZTNSIQOKBNUBR-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.17
Rot. Bonds2

About 2-methyl-4-(2-methylpropyl)thiolane

2-methyl-4-(2-methylpropyl)thiolane (PubChem CID 57202596) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropyl)thiolane.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropyl)thiolane
PubChem CID57202596
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name2-methyl-4-(2-methylpropyl)thiolane
SMILESCC(C)CC1CSC(C)C1
InChIInChI=1S/C9H18S/c1-7(2)4-9-5-8(3)10-6-9/h7-9H,4-6H2,1-3H3
InChIKeyCZTNSIQOKBNUBR-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-(2-methylpropyl)thiolan-3-amine
CID 57201026
4-fluoro-2-methylthiolane
CID 66729895
(3S)-3-(2-methylpropyl)thiolane
CID 89392788
N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine
CID 144523247
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
(1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 121406246
(3R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 145106733
2-methyl-4-(2-methylpropyl)pyrrolidine
CID 82594318
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717
4-methyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 66218897
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropyl)thiolane?
The IUPAC name of 2-methyl-4-(2-methylpropyl)thiolane (CID 57202596) is 2-methyl-4-(2-methylpropyl)thiolane.
What is the SMILES notation for 2-methyl-4-(2-methylpropyl)thiolane?
The canonical SMILES for 2-methyl-4-(2-methylpropyl)thiolane is CC(C)CC1CSC(C)C1.
What is the InChIKey of 2-methyl-4-(2-methylpropyl)thiolane?
The InChIKey is CZTNSIQOKBNUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-7(2)4-9-5-8(3)10-6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methylpropyl)thiolane?
2-methyl-4-(2-methylpropyl)thiolane has a molecular weight of 158.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropyl)thiolane is sourced from PubChem (CID 57202596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).