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(R)-1-Phenylethanethiol

CAS No.:

6263-65-6

Catalog Number:

AG003C88

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG003C88

Chemical Name:

(R)-1-Phenylethanethiol

CAS Number:

6263-65-6

MDL Number:

MFCD00053515

IUPAC Name:

1-phenylethanethiol

InChI:

InChI=1S/C8H10S/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3

InChI Key:

QZZBJCFNHPYNKO-UHFFFAOYSA-N

EC Number:

613-066-6

NSC Number:

66561

FEMA Number:

4061

Properties

Complexity:

74.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

1

Defined Atom Stereocenter Count:

0

Defined Bond Stereocenter Count:

0

Exact Mass:

138.05g/mol

Formal Charge:

0

Heavy Atom Count:

9

Hydrogen Bond Acceptor Count:

1

Hydrogen Bond Donor Count:

1

Isotope Atom Count:

0

Molecular Weight:

138.228g/mol

Monoisotopic Mass:

138.05g/mol

Rotatable Bond Count:

1

Topological Polar Surface Area:

1A^2

Undefined Atom Stereocenter Count:

1

Undefined Bond Stereocenter Count:

0

XLogP3:

2.4

Literature

Title	Journal
Synergistic organocatalysis in the kinetic resolution of secondary thiols with concomitant desymmetrization of an anhydride.	Nature chemistry 20100501
1-Phenyl-1-[(1-phenyl-ethyl)sulfonyl-methyl-sulfon-yl]ethane.	Acta crystallographica. Section E, Structure reports online 20091201
Recent improvements in the development of A(2B) adenosine receptor agonists.	Purinergic signalling 20081201

Properties