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125101-40-8 | 2-Thiazolamine, 4,5-dihydro-4,4-dimethyl-N-(phenylmethyl)-
CAS No: 125101-40-8 Catalog No: AG000N6V MDL No:MFCD03653071
Product Description
Catalog Number:
AG000N6V
Chemical Name:
2-Thiazolamine, 4,5-dihydro-4,4-dimethyl-N-(phenylmethyl)-
CAS Number:
125101-40-8
Molecular Formula:
C12H16N2S
Molecular Weight:
220.3338
MDL Number:
MFCD03653071
IUPAC Name:
N-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine
InChI:
InChI=1S/C12H16N2S/c1-12(2)9-15-11(14-12)13-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14)
InChI Key:
JXTBEMXNYIIFJS-UHFFFAOYSA-N
SMILES:
CC1(C)CSC(=N1)NCc1ccccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.334g/mol
Monoisotopic Mass:
220.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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