Home Other Building Blocks 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)guanidine hydrochloride

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)guanidine hydrochloride

CAS No.:
58095-43-5
Catalog Number:
AG01ACRF
Molecular Formula:
C9H14ClN3S
Molecular Weight:
231.7456
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Product Description
Catalog Number:
AG01ACRF
Chemical Name:
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)guanidine hydrochloride
CAS Number:
58095-43-5
Molecular Formula:
C9H14ClN3S
Molecular Weight:
231.7456
MDL Number:
MFCD26936096
IUPAC Name:
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)guanidine;hydrochloride
InChI:
InChI=1S/C9H13N3S.ClH/c10-9(11)12-7-2-1-3-8-6(7)4-5-13-8;/h4-5,7H,1-3H2,(H4,10,11,12);1H
InChI Key:
OOGHVGRIFCQYKM-UHFFFAOYSA-N
SMILES:
NC(=N)NC1CCCc2c1ccs2.Cl
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.06g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.742g/mol
Monoisotopic Mass:
231.06g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties