Home Aminos Hexanoic acid,6-[(aminothioxomethyl)amino]-, methyl ester

Hexanoic acid,6-[(aminothioxomethyl)amino]-, methyl ester

CAS No.:
98998-60-8
Catalog Number:
AG00IK7E
Molecular Formula:
C8H16N2O2S
Molecular Weight:
204.2898
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Product Description
Catalog Number:
AG00IK7E
Chemical Name:
Hexanoic acid,6-[(aminothioxomethyl)amino]-, methyl ester
CAS Number:
98998-60-8
Molecular Formula:
C8H16N2O2S
Molecular Weight:
204.2898
MDL Number:
MFCD06655829
IUPAC Name:
methyl 6-(carbamothioylamino)hexanoate
InChI:
InChI=1S/C8H16N2O2S/c1-12-7(11)5-3-2-4-6-10-8(9)13/h2-6H2,1H3,(H3,9,10,13)
InChI Key:
VALKJAZBWIWNGX-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCNC(=S)N
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.093g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
204.288g/mol
Monoisotopic Mass:
204.093g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties