Home Other Building Blocks N-{4-[(carbamimidoylmethyl)sulfanyl]phenyl}-2,2-dimethylpropanamide hydrochloride

N-{4-[(carbamimidoylmethyl)sulfanyl]phenyl}-2,2-dimethylpropanamide hydrochloride

CAS No.:
1423034-02-9
Catalog Number:
AG01A2HU
Molecular Formula:
C13H20ClN3OS
Molecular Weight:
301.8354
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Product Description
Catalog Number:
AG01A2HU
Chemical Name:
N-{4-[(carbamimidoylmethyl)sulfanyl]phenyl}-2,2-dimethylpropanamide hydrochloride
CAS Number:
1423034-02-9
Molecular Formula:
C13H20ClN3OS
Molecular Weight:
301.8354
MDL Number:
MFCD22578590
IUPAC Name:
N-[4-(2-amino-2-iminoethyl)sulfanylphenyl]-2,2-dimethylpropanamide;hydrochloride
InChI:
InChI=1S/C13H19N3OS.ClH/c1-13(2,3)12(17)16-9-4-6-10(7-5-9)18-8-11(14)15;/h4-7H,8H2,1-3H3,(H3,14,15)(H,16,17);1H
InChI Key:
LDJDIGNMXXZFJA-UHFFFAOYSA-N
SMILES:
NC(=N)CSc1ccc(cc1)NC(=O)C(C)(C)C.Cl
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.102g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
301.833g/mol
Monoisotopic Mass:
301.102g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties