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916074-15-2 | Urea, N-(aminothioxomethyl)-N'-(1,1-dimethylethyl)-
CAS No: 916074-15-2 Catalog No: AG006FSK MDL No:MFCD20701818
Product Description
Catalog Number:
AG006FSK
Chemical Name:
Urea, N-(aminothioxomethyl)-N'-(1,1-dimethylethyl)-
CAS Number:
916074-15-2
Molecular Formula:
C6H13N3OS
Molecular Weight:
175.2519
MDL Number:
MFCD20701818
IUPAC Name:
1-tert-butyl-3-carbamothioylurea
InChI:
InChI=1S/C6H13N3OS/c1-6(2,3)9-5(10)8-4(7)11/h1-3H3,(H4,7,8,9,10,11)
InChI Key:
LIIJXKNETVWASO-UHFFFAOYSA-N
SMILES:
O=C(NC(C)(C)C)NC(=S)N
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.078g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.25g/mol
Monoisotopic Mass:
175.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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