Home Aminos 2-​[[2-​(Dimethylamino)​ethyl]​thio]​-aceticAcidHydrochloride

2-​[[2-​(Dimethylamino)​ethyl]​thio]​-aceticAcidHydrochloride

CAS No.:
1415981-68-8
Catalog Number:
AG01E20A
Molecular Formula:
C6H14ClNO2S
Molecular Weight:
199.6989
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Product Description
Catalog Number:
AG01E20A
Chemical Name:
2-​[[2-​(Dimethylamino)​ethyl]​thio]​-aceticAcidHydrochloride
CAS Number:
1415981-68-8
Molecular Formula:
C6H14ClNO2S
Molecular Weight:
199.6989
MDL Number:
MFCD31692047
IUPAC Name:
2-[2-(dimethylamino)ethylsulfanyl]acetic acid;hydrochloride
InChI:
InChI=1S/C6H13NO2S.ClH/c1-7(2)3-4-10-5-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H
InChI Key:
BHQDXEHJSJWKMQ-UHFFFAOYSA-N
SMILES:
CN(CCSCC(=O)O)C.Cl
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.693g/mol
Monoisotopic Mass:
199.043g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties