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338748-96-2 | (5-iodopyridin-2-yl)thiourea
CAS No: 338748-96-2 Catalog No: AG00IP7P MDL No:MFCD01315199
Product Description
Catalog Number:
AG00IP7P
Chemical Name:
(5-iodopyridin-2-yl)thiourea
CAS Number:
338748-96-2
Molecular Formula:
C6H6IN3S
Molecular Weight:
279.1014
MDL Number:
MFCD01315199
IUPAC Name:
(5-iodopyridin-2-yl)thiourea
InChI:
InChI=1S/C6H6IN3S/c7-4-1-2-5(9-3-4)10-6(8)11/h1-3H,(H3,8,9,10,11)
InChI Key:
CWKXZMWFEPLTCA-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(cn1)I
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.933g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.099g/mol
Monoisotopic Mass:
278.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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