3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid

C10H12O3S — CID 61242350

IUPAC3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid
SMILESCc1cccc(SC(CO)C(=O)O)c1
InChIInChI=1S/C10H12O3S/c1-7-3-2-4-8(5-7)14-9(6-11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyWWAMHHGTNZPURR-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.53
Rot. Bonds4

About 3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid

3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid (PubChem CID 61242350) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid
PubChem CID61242350
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid
SMILESCc1cccc(SC(CO)C(=O)O)c1
InChIInChI=1S/C10H12O3S/c1-7-3-2-4-8(5-7)14-9(6-11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyWWAMHHGTNZPURR-UHFFFAOYSA-N
XLogP1.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(3-methylphenyl)-2-phenylsulfanylpropanoic acid
CID 100525281
methyl 2-(3-methylphenyl)sulfanylbutanoate
CID 54062372
3-amino-2-(3-methylphenyl)sulfanylbutan-1-ol
CID 64899617
2-(4-tert-butylphenyl)sulfanyl-3-hydroxypropanoic acid
CID 60861617
2-(3-aminophenyl)sulfanylbutanoic acid
CID 79133300
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
ethane;1-methyl-3-propan-2-ylsulfanylbenzene
CID 172609121
methyl 2-(3-methylphenyl)sulfanyl-2-methylsulfanylacetate
CID 154759578
1-(3-methylphenyl)sulfanylethanamine
CID 117032496
2-(methylamino)-4-(3-methylphenyl)sulfanylbutanoic acid
CID 63033091
2-[3-(ethylaminomethyl)phenyl]sulfanylbutanoic acid
CID 66349013
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid?
The IUPAC name of 3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid (CID 61242350) is 3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid.
What is the SMILES notation for 3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid?
The canonical SMILES for 3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid is Cc1cccc(SC(CO)C(=O)O)c1.
What is the InChIKey of 3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid?
The InChIKey is WWAMHHGTNZPURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-7-3-2-4-8(5-7)14-9(6-11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13).
What are the key properties of 3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid?
3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid has a molecular weight of 212.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid is sourced from PubChem (CID 61242350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).