Home Other Building Blocks 2-Amino-4,5,6,7-tetrahydro-8H-cycloheptathiazol-8-one

2-Amino-4,5,6,7-tetrahydro-8H-cycloheptathiazol-8-one

CAS No.:
883195-38-8
Catalog Number:
AG003AU2
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
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Product Description
Catalog Number:
AG003AU2
Chemical Name:
2-Amino-4,5,6,7-tetrahydro-8H-cycloheptathiazol-8-one
CAS Number:
883195-38-8
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
MDL Number:
MFCD13191781
IUPAC Name:
2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one
InChI:
InChI=1S/C8H10N2OS/c9-8-10-5-3-1-2-4-6(11)7(5)12-8/h1-4H2,(H2,9,10)
InChI Key:
NFAOGEPIABIIAN-UHFFFAOYSA-N
SMILES:
Nc1nc2c(s1)C(=O)CCCC2
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties