Home Aminos methyl (2S)-4-(acetylsulfanyl)-2-aminobutanoate hydrochloride

methyl (2S)-4-(acetylsulfanyl)-2-aminobutanoate hydrochloride

CAS No.:
1807939-72-5
Catalog Number:
AG01BB6L
Molecular Formula:
C7H14ClNO3S
Molecular Weight:
227.7090
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Product Description
Catalog Number:
AG01BB6L
Chemical Name:
methyl (2S)-4-(acetylsulfanyl)-2-aminobutanoate hydrochloride
CAS Number:
1807939-72-5
Molecular Formula:
C7H14ClNO3S
Molecular Weight:
227.7090
MDL Number:
MFCD28505894
IUPAC Name:
methyl (2S)-4-acetylsulfanyl-2-aminobutanoate;hydrochloride
InChI:
InChI=1S/C7H13NO3S.ClH/c1-5(9)12-4-3-6(8)7(10)11-2;/h6H,3-4,8H2,1-2H3;1H/t6-;/m0./s1
InChI Key:
YRVCZNGILXBQNK-RGMNGODLSA-N
SMILES:
COC(=O)[C@H](CCSC(=O)C)N.Cl
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
227.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.703g/mol
Monoisotopic Mass:
227.038g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties