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879489-48-2 | Thiourea, [1-[(4-methylphenyl)sulfonyl]ethyl]-
CAS No: 879489-48-2 Catalog No: AG004EF3 MDL No:
Product Description
Catalog Number:
AG004EF3
Chemical Name:
Thiourea, [1-[(4-methylphenyl)sulfonyl]ethyl]-
CAS Number:
879489-48-2
Molecular Formula:
C10H14N2O2S2
Molecular Weight:
258.3604
IUPAC Name:
1-(4-methylphenyl)sulfonylethylthiourea
InChI:
InChI=1S/C10H14N2O2S2/c1-7-3-5-9(6-4-7)16(13,14)8(2)12-10(11)15/h3-6,8H,1-2H3,(H3,11,12,15)
InChI Key:
PHYRLELJPTZNOO-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)c1ccc(cc1)C)NC(=S)N
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.354g/mol
Monoisotopic Mass:
258.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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