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857475-68-4,MFCD16631568
Catalog No.:AA01AQGC
857475-68-4 | 6-(2-THIENYL)-2-THIOXO-2,3-DIHYDROPYRIMIDIN-4(1(H))-ONE
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Technical Information
Catalog Number:
AA01AQGC
Chemical Name:
6-(2-THIENYL)-2-THIOXO-2,3-DIHYDROPYRIMIDIN-4(1(H))-ONE
CAS Number:
857475-68-4
Molecular Formula:
C8H6N2OS2
Molecular Weight:
210.2760
MDL Number:
MFCD16631568
IUPAC Name:
2-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-4-one
InChI:
InChI=1S/C8H6N2OS2/c11-7-4-5(9-8(12)10-7)6-2-1-3-13-6/h1-4H,(H2,9,10,11,12)
InChI Key:
GCRWCKWTDHPWIV-UHFFFAOYSA-N
SMILES:
O=c1cc([nH]c(=S)[nH]1)c1cccs1
Properties
Computed Properties
 
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.992g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.269g/mol
Monoisotopic Mass:
209.992g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
6-(2-thienyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one 
857475-68-4 
SCHEMBL17548487 
ZINC26420770 
AKOS005208260 
MCULE-2807104020 
L-3358 
F1967-0515 
2-sulfanylidene-6-(thiophen-2-yl)-1,3-dihydropyrimidin-4-one 
2-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-4-one 
Literature
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