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13281-03-3 | Thiourea, N-octyl-
CAS No: 13281-03-3 Catalog No: AG001185 MDL No:MFCD00060473
Product Description
Catalog Number:
AG001185
Chemical Name:
Thiourea, N-octyl-
CAS Number:
13281-03-3
Molecular Formula:
C9H20N2S
Molecular Weight:
188.3335
MDL Number:
MFCD00060473
IUPAC Name:
octylthiourea
InChI:
InChI=1S/C9H20N2S/c1-2-3-4-5-6-7-8-11-9(10)12/h2-8H2,1H3,(H3,10,11,12)
InChI Key:
QAKUNEDFMJPMGO-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=S)N
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.135g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.333g/mol
Monoisotopic Mass:
188.135g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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