Home Other Building Blocks 1-(furan-2-ylmethyl)-1H-1,2,3,4-tetrazole-5-thiol

1-(furan-2-ylmethyl)-1H-1,2,3,4-tetrazole-5-thiol

CAS No.:
204070-47-3
Catalog Number:
AG019K54
Molecular Formula:
C6H6N4OS
Molecular Weight:
182.2030
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Product Description
Catalog Number:
AG019K54
Chemical Name:
1-(furan-2-ylmethyl)-1H-1,2,3,4-tetrazole-5-thiol
CAS Number:
204070-47-3
Molecular Formula:
C6H6N4OS
Molecular Weight:
182.2030
MDL Number:
MFCD08444413
IUPAC Name:
1-(furan-2-ylmethyl)-2H-tetrazole-5-thione
InChI:
InChI=1S/C6H6N4OS/c12-6-7-8-9-10(6)4-5-2-1-3-11-5/h1-3H,4H2,(H,7,9,12)
InChI Key:
RJMABYCXKWDEGD-UHFFFAOYSA-N
SMILES:
Sc1nnnn1Cc1ccco1
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.026g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.201g/mol
Monoisotopic Mass:
182.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties