Name: Name:2-{[4-(propan-2-yl)phenyl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019UM1
Rating: 90 (10 reviews)

2-{[4-(propan-2-yl)phenyl]sulfanyl}acetic acid

CAS No.:

1962-66-9

Catalog Number:

AG019UM1

Molecular Formula:

C11H14O2S

Molecular Weight:

210.2927

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Product Description

Catalog Number:

AG019UM1

Chemical Name:

2-{[4-(propan-2-yl)phenyl]sulfanyl}acetic acid

CAS Number:

1962-66-9

Molecular Formula:

C11H14O2S

Molecular Weight:

210.2927

MDL Number:

MFCD09710888

IUPAC Name:

2-(4-propan-2-ylphenyl)sulfanylacetic acid

InChI:

InChI=1S/C11H14O2S/c1-8(2)9-3-5-10(6-4-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)

InChI Key:

ZNIRMVHGXAGJJF-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)SCC(=O)O)C

Properties

Complexity:

184

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.291g/mol

Monoisotopic Mass:

210.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Nuclear magnetic resonance fragment-based identification of novel FKBP12 inhibitors.	Journal of medicinal chemistry 20071227