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126560-55-2 | 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester
CAS No: 126560-55-2 Catalog No: AG000SYC MDL No:
Product Description
Catalog Number:
AG000SYC
Chemical Name:
3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester
CAS Number:
126560-55-2
Molecular Formula:
C9H17NOS2
Molecular Weight:
219.3674
IUPAC Name:
butyl 2-methyl-1,3-oxazolidine-3-carbodithioate
InChI:
InChI=1S/C9H17NOS2/c1-3-4-7-13-9(12)10-5-6-11-8(10)2/h8H,3-7H2,1-2H3
InChI Key:
BYEOIPZDNDAEJV-UHFFFAOYSA-N
SMILES:
CCCCSC(=S)N1CCOC1C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.361g/mol
Monoisotopic Mass:
219.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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