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21071-27-2 | Thiourea, N-hexyl-
CAS No: 21071-27-2 Catalog No: AG002KXD MDL No:MFCD00041198
Product Description
Catalog Number:
AG002KXD
Chemical Name:
Thiourea, N-hexyl-
CAS Number:
21071-27-2
Molecular Formula:
C7H16N2S
Molecular Weight:
160.2803
MDL Number:
MFCD00041198
IUPAC Name:
hexylthiourea
InChI:
InChI=1S/C7H16N2S/c1-2-3-4-5-6-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChI Key:
LMYQWQCDUHNQLF-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=S)N
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.103g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.279g/mol
Monoisotopic Mass:
160.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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