2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-

C10H22O3S — CID 5748724

IUPAC(2S)-1-[(2S)-1-[(2R)-1-methylsulfanylpropan-2-yl]oxypropan-2-yl]oxypropan-2-ol
SMILESC[C@@H](CO[C@@H](C)CO[C@H](C)CSC)O
InChIInChI=1S/C10H22O3S/c1-8(11)5-12-9(2)6-13-10(3)7-14-4/h8-11H,5-7H2,1-4H3/t8-,9-,10+/m0/s1
InChIKeyVRUJZAUWWWDUCV-LPEHRKFASA-N
MW222.35 g/mol
LogP1.20
Rot. Bonds8

About 2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-

2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)- (PubChem CID 5748724) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is (2S)-1-[(2S)-1-[(2R)-1-methylsulfanylpropan-2-yl]oxypropan-2-yl]oxypropan-2-ol.

Molecular Properties

Compound Name2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-
PubChem CID5748724
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name(2S)-1-[(2S)-1-[(2R)-1-methylsulfanylpropan-2-yl]oxypropan-2-yl]oxypropan-2-ol
SMILESC[C@@H](CO[C@@H](C)CO[C@H](C)CSC)O
InChIInChI=1S/C10H22O3S/c1-8(11)5-12-9(2)6-13-10(3)7-14-4/h8-11H,5-7H2,1-4H3/t8-,9-,10+/m0/s1
InChIKeyVRUJZAUWWWDUCV-LPEHRKFASA-N
XLogP1.20
TPSA64.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity133

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-?
The IUPAC name of 2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)- (CID 5748724) is (2S)-1-[(2S)-1-[(2R)-1-methylsulfanylpropan-2-yl]oxypropan-2-yl]oxypropan-2-ol.
What is the SMILES notation for 2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-?
The canonical SMILES for 2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)- is C[C@@H](CO[C@@H](C)CO[C@H](C)CSC)O.
What is the InChIKey of 2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-?
The InChIKey is VRUJZAUWWWDUCV-LPEHRKFASA-N. The full InChI is InChI=1S/C10H22O3S/c1-8(11)5-12-9(2)6-13-10(3)7-14-4/h8-11H,5-7H2,1-4H3/t8-,9-,10+/m0/s1.
What are the key properties of 2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-?
2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)- has a molecular weight of 222.35 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)- is sourced from PubChem (CID 5748724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).