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832099-01-1 | Thiourea, [4-(1-hexynyl)phenyl]-
CAS No: 832099-01-1 Catalog No: AG004ZYG MDL No:
Product Description
Catalog Number:
AG004ZYG
Chemical Name:
Thiourea, [4-(1-hexynyl)phenyl]-
CAS Number:
832099-01-1
Molecular Formula:
C13H16N2S
Molecular Weight:
232.3445
IUPAC Name:
(4-hex-1-ynylphenyl)thiourea
InChI:
InChI=1S/C13H16N2S/c1-2-3-4-5-6-11-7-9-12(10-8-11)15-13(14)16/h7-10H,2-4H2,1H3,(H3,14,15,16)
InChI Key:
GGVYZMRARCDVQH-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1ccc(cc1)NC(=S)N
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.345g/mol
Monoisotopic Mass:
232.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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