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141034-13-1 | Thiourea, [(1R,2R)-1,2,3,4-tetrahydro-2-hydroxy-1-naphthalenyl]-, rel- (9CI)
CAS No: 141034-13-1 Catalog No: AG001FRR MDL No:
Product Description
Catalog Number:
AG001FRR
Chemical Name:
Thiourea, [(1R,2R)-1,2,3,4-tetrahydro-2-hydroxy-1-naphthalenyl]-, rel- (9CI)
CAS Number:
141034-13-1
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
IUPAC Name:
(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
InChI:
InChI=1S/C11H14N2OS/c12-11(15)13-10-8-4-2-1-3-7(8)5-6-9(10)14/h1-4,9-10,14H,5-6H2,(H3,12,13,15)
InChI Key:
RJYUQSSRJOZYRV-UHFFFAOYSA-N
SMILES:
NC(=S)N[C@H]1[C@H](O)CCc2c1cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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