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911485-84-2 | 3,4-dihydro-2H-1,4-benzothiazin-6-ylmethanol
CAS No: 911485-84-2 Catalog No: AG01AFPJ MDL No:MFCD20685345
Product Description
Catalog Number:
AG01AFPJ
Chemical Name:
3,4-dihydro-2H-1,4-benzothiazin-6-ylmethanol
CAS Number:
911485-84-2
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD20685345
IUPAC Name:
3,4-dihydro-2H-1,4-benzothiazin-6-ylmethanol
InChI:
InChI=1S/C9H11NOS/c11-6-7-1-2-9-8(5-7)10-3-4-12-9/h1-2,5,10-11H,3-4,6H2
InChI Key:
IPYFXUITCCENFI-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)NCCS2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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