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724426-94-2 | 2-Bromo-4-isopropylphenylthiourea
CAS No: 724426-94-2 Catalog No: AG01EX3T MDL No:MFCD18379866
Product Description
Catalog Number:
AG01EX3T
Chemical Name:
2-Bromo-4-isopropylphenylthiourea
CAS Number:
724426-94-2
Molecular Formula:
C10H13BrN2S
Molecular Weight:
273.1926
MDL Number:
MFCD18379866
IUPAC Name:
(2-bromo-4-propan-2-ylphenyl)thiourea
InChI:
InChI=1S/C10H13BrN2S/c1-6(2)7-3-4-9(8(11)5-7)13-10(12)14/h3-6H,1-2H3,(H3,12,13,14)
InChI Key:
UOBJMEDCVLOVQM-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(cc1Br)C(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.192g/mol
Monoisotopic Mass:
271.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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