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88873-56-7 | Ethanesulfonic acid, 2-[[[[3-(dimethylamino)propyl]amino]carbonyl]thio]-
CAS No: 88873-56-7 Catalog No: AG0049OI MDL No:
Product Description
Catalog Number:
AG0049OI
Chemical Name:
Ethanesulfonic acid, 2-[[[[3-(dimethylamino)propyl]amino]carbonyl]thio]-
CAS Number:
88873-56-7
Molecular Formula:
C8H18N2O4S2
Molecular Weight:
270.3695
IUPAC Name:
2-[3-(dimethylamino)propylcarbamoylsulfanyl]ethanesulfonic acid
InChI:
InChI=1S/C8H18N2O4S2/c1-10(2)5-3-4-9-8(11)15-6-7-16(12,13)14/h3-7H2,1-2H3,(H,9,11)(H,12,13,14)
InChI Key:
LNXGYHOVBXCCKX-UHFFFAOYSA-N
SMILES:
CN(CCCNC(=O)SCCS(=O)(=O)O)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.362g/mol
Monoisotopic Mass:
270.071g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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