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90012-37-6 | 2-dodecyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide
CAS No: 90012-37-6 Catalog No: AG006M5P MDL No:
Product Description
Catalog Number:
AG006M5P
Chemical Name:
2-dodecyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide
CAS Number:
90012-37-6
Molecular Formula:
C19H29NO3S
Molecular Weight:
351.5035
IUPAC Name:
2-dodecyl-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C19H29NO3S/c1-2-3-4-5-6-7-8-9-10-13-16-20-19(21)17-14-11-12-15-18(17)24(20,22)23/h11-12,14-15H,2-10,13,16H2,1H3
InChI Key:
QZRDHYNWULQSSS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1C(=O)c2c(S1(=O)=O)cccc2
NSC Number:
39144
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.187g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.505g/mol
Monoisotopic Mass:
351.187g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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