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13980-76-2

13980-76-2 | 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-

CAS No: 13980-76-2 Catalog No: AG001BPT MDL No:MFCD01321180

Product Description

Catalog Number:
AG001BPT
Chemical Name:
5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-
CAS Number:
13980-76-2
Molecular Formula:
C8H8N4OS
Molecular Weight:
208.2403
MDL Number:
MFCD01321180
IUPAC Name:
1-(4-methoxyphenyl)-2H-tetrazole-5-thione
InChI:
InChI=1S/C8H8N4OS/c1-13-7-4-2-6(3-5-7)12-8(14)9-10-11-12/h2-5H,1H3,(H,9,11,14)
InChI Key:
UFALKIBIWOKBDL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1[nH]nnc1=S

Properties

Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.239g/mol
Monoisotopic Mass:
208.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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