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117420-87-8 | 4-Thiazolamine, 5-(butylsulfonyl)-2-(methylthio)-
CAS No: 117420-87-8 Catalog No: AG000EAL MDL No:
Product Description
Catalog Number:
AG000EAL
Chemical Name:
4-Thiazolamine, 5-(butylsulfonyl)-2-(methylthio)-
CAS Number:
117420-87-8
Molecular Formula:
C8H14N2O2S3
Molecular Weight:
266.4040
IUPAC Name:
5-butylsulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine
InChI:
InChI=1S/C8H14N2O2S3/c1-3-4-5-15(11,12)7-6(9)10-8(13-2)14-7/h3-5,9H2,1-2H3
InChI Key:
ZKBABMOOOPHIIR-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)c1sc(nc1N)SC
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.392g/mol
Monoisotopic Mass:
266.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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