(3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane

C8H16OS — CID 129094570

IUPAC(3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane
SMILESCS[C@@H]1COC[C@@H]1C(C)C
InChIInChI=1S/C8H16OS/c1-6(2)7-4-9-5-8(7)10-3/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyLLRKEMQFVVOYFA-HTQZYQBOSA-N
MW160.28 g/mol
LogP2.02
Rot. Bonds2

About (3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane

(3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane (PubChem CID 129094570) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane.

Molecular Properties

Compound Name(3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane
PubChem CID129094570
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane
SMILESCS[C@@H]1COC[C@@H]1C(C)C
InChIInChI=1S/C8H16OS/c1-6(2)7-4-9-5-8(7)10-3/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyLLRKEMQFVVOYFA-HTQZYQBOSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4S)-2-(butoxymethyl)-4-fluoro-3-methylthiolane
CID 71182265
2-Heptan-3-yl-1,3-oxathiolane
CID 306084
2-Isobutyl-2-methyl-1,3-oxathiolane
CID 15192111
3-(Ethoxymethylsulfanylmethyl)-2,4-dimethylpentane
CID 58165100
1-Methoxy-2,4-dimethyl-3-methylsulfanylpentane
CID 87313981
CID 88561009
CID 88561009
CID 89075521
CID 89075521
1-Methoxy-2,4-dimethyl-5-methylsulfanylpentane
CID 89091081
3-[2-(2,3-Dimethylbutan-2-ylsulfanyl)ethyl]oxolane
CID 90882584
3-(3-Methylsulfanylpropoxymethyl)heptane
CID 91513755
3-Methyl-4-(2-methylsulfanylethyl)oxolane
CID 123597030
1-(4-Propan-2-yloxolan-3-yl)ethanethiol
CID 126735240

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane?
The IUPAC name of (3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane (CID 129094570) is (3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane.
What is the SMILES notation for (3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane?
The canonical SMILES for (3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane is CS[C@@H]1COC[C@@H]1C(C)C.
What is the InChIKey of (3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane?
The InChIKey is LLRKEMQFVVOYFA-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16OS/c1-6(2)7-4-9-5-8(7)10-3/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane?
(3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane has a molecular weight of 160.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methylsulfanyl-4-propan-2-yloxolane is sourced from PubChem (CID 129094570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).