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214834-18-1 | tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
CAS No: 214834-18-1 Catalog No: AG0039LI MDL No:MFCD02180954
Product Description
Catalog Number:
AG0039LI
Chemical Name:
tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
CAS Number:
214834-18-1
Molecular Formula:
C11H20N2O2S
Molecular Weight:
244.3537
MDL Number:
MFCD02180954
IUPAC Name:
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
InChI:
InChI=1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-6-4-8(5-7-13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)
InChI Key:
SCGQNJHAAYUQOO-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)C(=S)N)OC(C)(C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.125g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.353g/mol
Monoisotopic Mass:
244.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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