Thiourea, octyl-


Chemical Name: Thiourea, octyl-
CAS Number: 13281-03-3
Product Number: AG001185(AGN-PC-0K9B1O)
Synonyms:
MDL No:
Molecular Formula: C9H20N2S
Molecular Weight: 188.3335

Identification/Properties


Computed Properties
Molecular Weight:
188.333g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
7
Exact Mass:
188.135g/mol
Monoisotopic Mass:
188.135g/mol
Topological Polar Surface Area:
70.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
115
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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