Home Other Building Blocks methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide

methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide

CAS No.:
479580-58-0
Catalog Number:
AG019LFP
Molecular Formula:
C10H13BrN2O2S
Molecular Weight:
305.1914
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Product Description
Catalog Number:
AG019LFP
Chemical Name:
methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide
CAS Number:
479580-58-0
Molecular Formula:
C10H13BrN2O2S
Molecular Weight:
305.1914
MDL Number:
MFCD02130300
IUPAC Name:
methyl 4-(carbamimidoylsulfanylmethyl)benzoate;hydrobromide
InChI:
InChI=1S/C10H12N2O2S.BrH/c1-14-9(13)8-4-2-7(3-5-8)6-15-10(11)12;/h2-5H,6H2,1H3,(H3,11,12);1H
InChI Key:
VTHQEXFLCMZPBW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CSC(=N)N.Br
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.988g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
305.19g/mol
Monoisotopic Mass:
303.988g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties