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16181-82-1 | Guanidine, N-(2-mercaptoethyl)-N-phenyl-, hydrobromide (1:1)
CAS No: 16181-82-1 Catalog No: AG001VWU MDL No:
Product Description
Catalog Number:
AG001VWU
Chemical Name:
Guanidine, N-(2-mercaptoethyl)-N-phenyl-, hydrobromide (1:1)
CAS Number:
16181-82-1
Molecular Formula:
C9H14BrN3S
Molecular Weight:
276.1966
IUPAC Name:
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrobromide
InChI:
InChI=1S/C9H13N3S.BrH/c10-9(11-6-7-13)12-8-4-2-1-3-5-8;/h1-5,13H,6-7H2,(H3,10,11,12);1H
InChI Key:
DTVGDEZLXIHPHN-UHFFFAOYSA-N
SMILES:
SCCN(c1ccccc1)C(=N)N.Br
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.009g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
276.196g/mol
Monoisotopic Mass:
275.009g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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