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99983-00-3 | 1-(3-(Methylthio)propyl)-3-phenylthiourea
CAS No: 99983-00-3 Catalog No: AG003VTR MDL No:MFCD11701650
Product Description
Catalog Number:
AG003VTR
Chemical Name:
1-(3-(Methylthio)propyl)-3-phenylthiourea
CAS Number:
99983-00-3
Molecular Formula:
C11H16N2S2
Molecular Weight:
240.3881
MDL Number:
MFCD11701650
IUPAC Name:
1-(3-methylsulfanylpropyl)-3-phenylthiourea
InChI:
InChI=1S/C11H16N2S2/c1-15-9-5-8-12-11(14)13-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H2,12,13,14)
InChI Key:
KRIODUFZQNRHAG-UHFFFAOYSA-N
SMILES:
CSCCCNC(=S)Nc1ccccc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.383g/mol
Monoisotopic Mass:
240.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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