3-Acetylthio-2-methylpropionic Acid

CAT: 0572-TRC-A188775-500MGSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-A188775-500MGSize:500 mg

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CAS Number

33325-40-5

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

CC(CSC(=O)C)C(=O)O

Molecular Formula

C6H10O3S

Molecular Weight

162.21

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

3-(Acetylthio)-2-methylpropanoic acid

See also: D-beta-acetylthioisobutyric acid (annotation moved to).

CAS Number	33325-40-5
PubChem CID	118073
IUPAC Name	3-acetylsulfanyl-2-methylpropanoic acid
Molecular Formula	C6H10O3S
Molecular Weight	162.21
XLogP	0.7
Topological Polar Surface Area	79.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	144

SMILES

CC(CSC(=O)C)C(=O)O

InChI

InChI=1S/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)

InChIKey

VFVHNRJEYQGRGE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33325-40-5

CID: 118073

Formula: C6H10O3S

MW: 162.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	162.21
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	162.03506535
Monoisotopic Mass	162.03506535
Topological Polar Surface Area	79.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	144
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
241761-01	S- (-) -3- (Acetylthio) -2-methylpropionic acid 99+% ee (GC)
288658-01	3-Hydroxy-2-methylpropionic acid
160466	3-Bromo-2-methylpropionic Acid
OR470258	3- (3-Indolyl) -2-methylpropionic acid
258962-01	3-Acetylthio-2-methylpropanoic acid
sc-209470	3- (Acetylthio) -2-benzylpropionic Acid
MBS6028491-01	3-(Acetylthio)-2-benzylpropionic Acid
TMIJ-0053-01	2-Methylpropionic-d7 acid
OR2320	3- (Acetylthio) -2-methylpropanoic acid
FB35516-01	2-Bromo-2-methylpropionic acid

3-Acetylthio-2-methylpropionic Acid

Chemical Information

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