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5611-64-3 | Methalthiazide
CAS No: 5611-64-3 Catalog No: AG00DIDA MDL No:
Product Description
Catalog Number:
AG00DIDA
Chemical Name:
Methalthiazide
CAS Number:
5611-64-3
IUPAC Name:
6-chloro-2-methyl-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
InChI:
InChI=1S/C12H16ClN3O4S3/c1-3-4-21-7-12-15-9-5-8(13)10(22(14,17)18)6-11(9)23(19,20)16(12)2/h3,5-6,12,15H,1,4,7H2,2H3,(H2,14,17,18)
InChI Key:
BDNLIZHZILNCGI-UHFFFAOYSA-N
NSC Number:
352522
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.999g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
397.907g/mol
Monoisotopic Mass:
396.999g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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