Home Carboxys tert-butyl 3-carbamothioylmorpholine-4-carboxylate

tert-butyl 3-carbamothioylmorpholine-4-carboxylate

CAS No.:
1803583-29-0
Catalog Number:
AG01AG33
Molecular Formula:
C10H18N2O3S
Molecular Weight:
246.3265
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Product Description
Catalog Number:
AG01AG33
Chemical Name:
tert-butyl 3-carbamothioylmorpholine-4-carboxylate
CAS Number:
1803583-29-0
Molecular Formula:
C10H18N2O3S
Molecular Weight:
246.3265
MDL Number:
MFCD28118201
IUPAC Name:
tert-butyl 3-carbamothioylmorpholine-4-carboxylate
InChI:
InChI=1S/C10H18N2O3S/c1-10(2,3)15-9(13)12-4-5-14-6-7(12)8(11)16/h7H,4-6H2,1-3H3,(H2,11,16)
InChI Key:
RFPPICGQVBEXDH-UHFFFAOYSA-N
SMILES:
NC(=S)C1COCCN1C(=O)OC(C)(C)C
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.104g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.325g/mol
Monoisotopic Mass:
246.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties