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141034-14-2 | Thiourea, (2,3-dihydro-2-hydroxy-1H-inden-1-yl)-, trans- (9CI)
CAS No: 141034-14-2 Catalog No: AG001FRQ MDL No:
Product Description
Catalog Number:
AG001FRQ
Chemical Name:
Thiourea, (2,3-dihydro-2-hydroxy-1H-inden-1-yl)-, trans- (9CI)
CAS Number:
141034-14-2
Molecular Formula:
C10H12N2OS
Molecular Weight:
208.2801
IUPAC Name:
[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea
InChI:
InChI=1S/C10H12N2OS/c11-10(14)12-9-7-4-2-1-3-6(7)5-8(9)13/h1-4,8-9,13H,5H2,(H3,11,12,14)/t8-,9-/m1/s1
InChI Key:
VYMANYOHQDLION-RKDXNWHRSA-N
SMILES:
NC(=S)N[C@H]1[C@H](O)Cc2c1cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
208.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.279g/mol
Monoisotopic Mass:
208.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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