Home Other Building Blocks tert-butyl 2-carbamothioyl-2,2-dimethylacetate

tert-butyl 2-carbamothioyl-2,2-dimethylacetate

CAS No.:
75235-67-5
Catalog Number:
AG01B8YQ
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
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Product Description
Catalog Number:
AG01B8YQ
Chemical Name:
tert-butyl 2-carbamothioyl-2,2-dimethylacetate
CAS Number:
75235-67-5
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
MDL Number:
MFCD24625932
IUPAC Name:
tert-butyl 3-amino-2,2-dimethyl-3-sulfanylidenepropanoate
InChI:
InChI=1S/C9H17NO2S/c1-8(2,3)12-7(11)9(4,5)6(10)13/h1-5H3,(H2,10,13)
InChI Key:
VBZRIIYWBBDXAI-UHFFFAOYSA-N
SMILES:
O=C(C(C(=S)N)(C)C)OC(C)(C)C
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.098g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.3g/mol
Monoisotopic Mass:
203.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties