Home Halogens 5-amino-6-chloro-1H-pyrimidine-4-thione

5-amino-6-chloro-1H-pyrimidine-4-thione

CAS No.:
54851-35-3
Catalog Number:
AG00DFYP
Molecular Formula:
C4H4ClN3S
Molecular Weight:
161.6127
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Product Description
Catalog Number:
AG00DFYP
Chemical Name:
5-amino-6-chloro-1H-pyrimidine-4-thione
CAS Number:
54851-35-3
Molecular Formula:
C4H4ClN3S
Molecular Weight:
161.6127
MDL Number:
MFCD09746187
IUPAC Name:
5-amino-6-chloro-1H-pyrimidine-4-thione
InChI:
InChI=1S/C4H4ClN3S/c5-3-2(6)4(9)8-1-7-3/h1H,6H2,(H,7,8,9)
InChI Key:
VEHPZWYCFFRGFK-UHFFFAOYSA-N
SMILES:
Clc1nc[nH]c(=S)c1N
NSC Number:
51098
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.981g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
161.607g/mol
Monoisotopic Mass:
160.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties