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88743-03-7 | 1,3,4-Thiadiazol-2-amine, 5-[(phenylthio)methyl]-
CAS No: 88743-03-7 Catalog No: AG004CP1 MDL No:MFCD01579995
Product Description
Catalog Number:
AG004CP1
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[(phenylthio)methyl]-
CAS Number:
88743-03-7
Molecular Formula:
C9H9N3S2
Molecular Weight:
223.3179
MDL Number:
MFCD01579995
IUPAC Name:
5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C9H9N3S2/c10-9-12-11-8(14-9)6-13-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChI Key:
VRWRAXQYZVENLT-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)CSc1ccccc1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.312g/mol
Monoisotopic Mass:
223.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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