(4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one

C10H14O3S — CID 149121842

IUPAC(4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one
SMILESCc1ccc(C(=O)CC[C@H](O)CO)s1
InChIInChI=1S/C10H14O3S/c1-7-2-5-10(14-7)9(13)4-3-8(12)6-11/h2,5,8,11-12H,3-4,6H2,1H3/t8-/m0/s1
InChIKeyQZRFKJYFIFVLQH-QMMMGPOBSA-N
MW214.29 g/mol
LogP1.37
Rot. Bonds5

About (4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one

(4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one (PubChem CID 149121842) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is (4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one.

Molecular Properties

Compound Name(4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one
PubChem CID149121842
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name(4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one
SMILESCc1ccc(C(=O)CC[C@H](O)CO)s1
InChIInChI=1S/C10H14O3S/c1-7-2-5-10(14-7)9(13)4-3-8(12)6-11/h2,5,8,11-12H,3-4,6H2,1H3/t8-/m0/s1
InChIKeyQZRFKJYFIFVLQH-QMMMGPOBSA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one?
The IUPAC name of (4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one (CID 149121842) is (4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one.
What is the SMILES notation for (4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one?
The canonical SMILES for (4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one is Cc1ccc(C(=O)CC[C@H](O)CO)s1.
What is the InChIKey of (4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one?
The InChIKey is QZRFKJYFIFVLQH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14O3S/c1-7-2-5-10(14-7)9(13)4-3-8(12)6-11/h2,5,8,11-12H,3-4,6H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one?
(4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one has a molecular weight of 214.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one is sourced from PubChem (CID 149121842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).