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88987-95-5 | 3-Thiomorpholinone, 2-hexyl-
CAS No: 88987-95-5 Catalog No: AG00467S MDL No:
Product Description
Catalog Number:
AG00467S
Chemical Name:
3-Thiomorpholinone, 2-hexyl-
CAS Number:
88987-95-5
Molecular Formula:
C10H19NOS
Molecular Weight:
201.3290
IUPAC Name:
2-hexylthiomorpholin-3-one
InChI:
InChI=1S/C10H19NOS/c1-2-3-4-5-6-9-10(12)11-7-8-13-9/h9H,2-8H2,1H3,(H,11,12)
InChI Key:
DDKAGKSWPJCQPN-UHFFFAOYSA-N
SMILES:
CCCCCCC1SCCNC1=O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.119g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.328g/mol
Monoisotopic Mass:
201.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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