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75468-92-7 | Thiourea, (3-methyl-2-thiazolidinylidene)phenyl-
CAS No: 75468-92-7 Catalog No: AG008Q2T MDL No:
Product Description
Catalog Number:
AG008Q2T
Chemical Name:
Thiourea, (3-methyl-2-thiazolidinylidene)phenyl-
CAS Number:
75468-92-7
Molecular Formula:
C11H13N3S2
Molecular Weight:
251.3710
IUPAC Name:
1-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylthiourea
InChI:
InChI=1S/C11H13N3S2/c1-14-7-8-16-11(14)13-10(15)12-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,15)
InChI Key:
ZHFLPSPDXLQRLF-UHFFFAOYSA-N
SMILES:
S=C(N=C1SCCN1C)Nc1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.366g/mol
Monoisotopic Mass:
251.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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