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179686-51-2 | 1,4-Thiazepine, 3-ethoxy-2,5,6,7-tetrahydro-
CAS No: 179686-51-2 Catalog No: AG002779 MDL No:
Product Description
Catalog Number:
AG002779
Chemical Name:
1,4-Thiazepine, 3-ethoxy-2,5,6,7-tetrahydro-
CAS Number:
179686-51-2
Molecular Formula:
C7H13NOS
Molecular Weight:
159.2492
IUPAC Name:
3-ethoxy-2,5,6,7-tetrahydro-1,4-thiazepine
InChI:
InChI=1S/C7H13NOS/c1-2-9-7-6-10-5-3-4-8-7/h2-6H2,1H3
InChI Key:
QITOIQGCLKOOHO-UHFFFAOYSA-N
SMILES:
CCOC1=NCCCSC1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.247g/mol
Monoisotopic Mass:
159.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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