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Home > Thiazole > 1250722-11-2
1250722-11-2 | 2-[(PYRROLIDIN-2-YLMETHYL)SULFANYL]-1,3-BENZOTHIAZOLE
CAS No: 1250722-11-2 Catalog No: AG01ATMW MDL No:MFCD16075909
Product Description
Catalog Number:
AG01ATMW
Chemical Name:
2-[(PYRROLIDIN-2-YLMETHYL)SULFANYL]-1,3-BENZOTHIAZOLE
CAS Number:
1250722-11-2
MDL Number:
MFCD16075909
IUPAC Name:
2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C12H14N2S2/c1-2-6-11-10(5-1)14-12(16-11)15-8-9-4-3-7-13-9/h1-2,5-6,9,13H,3-4,7-8H2
InChI Key:
ZBDWVIRUROTRDU-UHFFFAOYSA-N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.378g/mol
Monoisotopic Mass:
250.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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