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Home > Thiazole > 1105188-38-2
1105188-38-2 | N'-(4-METHOXY-7-METHYL-1,3-BENZOTHIAZOL-2-YL)-N,N-DIMETHYLPROPANE-1,3-DIA+
CAS No: 1105188-38-2 Catalog No: AG01AROY MDL No:MFCD11986999
Product Description
Catalog Number:
AG01AROY
Chemical Name:
N'-(4-METHOXY-7-METHYL-1,3-BENZOTHIAZOL-2-YL)-N,N-DIMETHYLPROPANE-1,3-DIA+
CAS Number:
1105188-38-2
Molecular Formula:
C14H21N3OS
Molecular Weight:
279.4010
MDL Number:
MFCD11986999
IUPAC Name:
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
InChI:
InChI=1S/C14H21N3OS/c1-10-6-7-11(18-4)12-13(10)19-14(16-12)15-8-5-9-17(2)3/h6-7H,5,8-9H2,1-4H3,(H,15,16)
InChI Key:
OBISERFKZQJZAV-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1nc(s2)NCCCN(C)C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.402g/mol
Monoisotopic Mass:
279.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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