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6396-76-5 | 1-(2,6-Dimethylphenyl)thiourea
CAS No: 6396-76-5 Catalog No: AG003CT6 MDL No:MFCD00041165
Product Description
Catalog Number:
AG003CT6
Chemical Name:
1-(2,6-Dimethylphenyl)thiourea
CAS Number:
6396-76-5
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
MDL Number:
MFCD00041165
IUPAC Name:
(2,6-dimethylphenyl)thiourea
InChI:
InChI=1S/C9H12N2S/c1-6-4-3-5-7(2)8(6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChI Key:
ASNKJUONFPQYPC-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1c(C)cccc1C
EC Number:
229-005-8
NSC Number:
202179
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.269g/mol
Monoisotopic Mass:
180.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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