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89753-93-5 | Ethanethioic acid, [(1-methyl-1H-tetrazol-5-yl)thio]-
CAS No: 89753-93-5 Catalog No: AG0040B8 MDL No:
Product Description
Catalog Number:
AG0040B8
Chemical Name:
Ethanethioic acid, [(1-methyl-1H-tetrazol-5-yl)thio]-
CAS Number:
89753-93-5
Molecular Formula:
C4H6N4OS2
Molecular Weight:
190.2466
IUPAC Name:
2-(1-methyltetrazol-5-yl)sulfanylethanethioic S-acid
InChI:
InChI=1S/C4H6N4OS2/c1-8-4(5-6-7-8)11-2-3(9)10/h2H2,1H3,(H,9,10)
InChI Key:
JSRQTOGRACMWCI-UHFFFAOYSA-N
SMILES:
OC(=S)CSc1nnnn1C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.998g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.239g/mol
Monoisotopic Mass:
189.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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