3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol

C12H18O3S — CID 103960852

IUPAC3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol
SMILESCC[C@@H](O)c1ccccc1SCC(O)CO
InChIInChI=1S/C12H18O3S/c1-2-11(15)10-5-3-4-6-12(10)16-8-9(14)7-13/h3-6,9,11,13-15H,2,7-8H2,1H3/t9?,11-/m1/s1
InChIKeyBDRYTDKFTBTWOO-HCCKASOXSA-N
MW242.34 g/mol
LogP1.58
Rot. Bonds6

About 3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol

3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol (PubChem CID 103960852) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol
PubChem CID103960852
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol
SMILESCC[C@@H](O)c1ccccc1SCC(O)CO
InChIInChI=1S/C12H18O3S/c1-2-11(15)10-5-3-4-6-12(10)16-8-9(14)7-13/h3-6,9,11,13-15H,2,7-8H2,1H3/t9?,11-/m1/s1
InChIKeyBDRYTDKFTBTWOO-HCCKASOXSA-N
XLogP1.58
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(3-hydroxypropylsulfanyl)phenyl]propan-1-ol
CID 103960848
(1S)-1-(2-butylsulfanylphenyl)propan-1-ol
CID 103960769
(1S)-1-(2-phenylsulfanylphenyl)propan-1-ol
CID 103960694
(1S)-1-(2-tert-butylsulfanylphenyl)propan-1-ol
CID 103960688
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
(1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol
CID 113359142
2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide
CID 114234847
1-[2-(furan-2-ylmethylsulfanyl)phenyl]propan-1-ol
CID 112680064
(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol
CID 103960748
1-(2-sulfanylphenyl)propan-1-ol
CID 173402717
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide
CID 79682078

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol?
The IUPAC name of 3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol (CID 103960852) is 3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol is CC[C@@H](O)c1ccccc1SCC(O)CO.
What is the InChIKey of 3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol?
The InChIKey is BDRYTDKFTBTWOO-HCCKASOXSA-N. The full InChI is InChI=1S/C12H18O3S/c1-2-11(15)10-5-3-4-6-12(10)16-8-9(14)7-13/h3-6,9,11,13-15H,2,7-8H2,1H3/t9?,11-/m1/s1.
What are the key properties of 3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol?
3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol has a molecular weight of 242.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 103960852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).