Home Other Building Blocks {[(2-cyanophenyl)methyl]sulfanyl}methanimidamide hydrochloride

{[(2-cyanophenyl)methyl]sulfanyl}methanimidamide hydrochloride

CAS No.:
112941-27-2
Catalog Number:
AG01BVV3
Molecular Formula:
C9H10ClN3S
Molecular Weight:
227.7138
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Product Description
Catalog Number:
AG01BVV3
Chemical Name:
{[(2-cyanophenyl)methyl]sulfanyl}methanimidamide hydrochloride
CAS Number:
112941-27-2
Molecular Formula:
C9H10ClN3S
Molecular Weight:
227.7138
MDL Number:
MFCD31629850
IUPAC Name:
(2-cyanophenyl)methyl carbamimidothioate;hydrochloride
InChI:
InChI=1S/C9H9N3S.ClH/c10-5-7-3-1-2-4-8(7)6-13-9(11)12;/h1-4H,6H2,(H3,11,12);1H
InChI Key:
DZGMYDLFEPNNKE-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CSC(=N)N.Cl
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
227.71g/mol
Monoisotopic Mass:
227.028g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties