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88347-99-3 | Propanamide, 2-amino-3-[(2,3-dihydroxypropyl)thio]-
CAS No: 88347-99-3 Catalog No: AG0045ZG MDL No:
Product Description
Catalog Number:
AG0045ZG
Chemical Name:
Propanamide, 2-amino-3-[(2,3-dihydroxypropyl)thio]-
CAS Number:
88347-99-3
Molecular Formula:
C6H14N2O3S
Molecular Weight:
194.2520
IUPAC Name:
2-amino-3-(2,3-dihydroxypropylsulfanyl)propanamide
InChI:
InChI=1S/C6H14N2O3S/c7-5(6(8)11)3-12-2-4(10)1-9/h4-5,9-10H,1-3,7H2,(H2,8,11)
InChI Key:
SVHJAIOEFLVPBS-UHFFFAOYSA-N
SMILES:
OCC(CSCC(C(=O)N)N)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.073g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
194.249g/mol
Monoisotopic Mass:
194.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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