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27623-07-0

27623-07-0 | 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-6-(2-thienyl)-3-thioxo-

CAS No: 27623-07-0 Catalog No: AG002U9V MDL No:

Product Description

Catalog Number:
AG002U9V
Chemical Name:
1,2,4-Triazin-5(2H)-one, 3,4-dihydro-6-(2-thienyl)-3-thioxo-
CAS Number:
27623-07-0
Molecular Formula:
C7H5N3OS2
Molecular Weight:
211.2641
IUPAC Name:
3-sulfanylidene-6-thiophen-2-yl-2H-1,2,4-triazin-5-one
InChI:
InChI=1S/C7H5N3OS2/c11-6-5(4-2-1-3-13-4)9-10-7(12)8-6/h1-3H,(H2,8,10,11,12)
InChI Key:
YDOAVONEZJKTNW-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=S)[nH]nc1c1cccs1

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.987g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.257g/mol
Monoisotopic Mass:
210.987g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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