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88884-39-3 | Thiourea, [2-(1-methylethenyl)phenyl]-
CAS No: 88884-39-3 Catalog No: AG00497O MDL No:
Product Description
Catalog Number:
AG00497O
Chemical Name:
Thiourea, [2-(1-methylethenyl)phenyl]-
CAS Number:
88884-39-3
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
IUPAC Name:
(2-prop-1-en-2-ylphenyl)thiourea
InChI:
InChI=1S/C10H12N2S/c1-7(2)8-5-3-4-6-9(8)12-10(11)13/h3-6H,1H2,2H3,(H3,11,12,13)
InChI Key:
HHMPMOQNHZVCNM-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccccc1C(=C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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