Home Other Building Blocks 3-methyl-1-(naphthalen-1-yl)thiourea

3-methyl-1-(naphthalen-1-yl)thiourea

CAS No.:
2740-98-9
Catalog Number:
AG019WXF
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
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Product Description
Catalog Number:
AG019WXF
Chemical Name:
3-methyl-1-(naphthalen-1-yl)thiourea
CAS Number:
2740-98-9
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD03760758
IUPAC Name:
1-methyl-3-naphthalen-1-ylthiourea
InChI:
InChI=1S/C12H12N2S/c1-13-12(15)14-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H2,13,14,15)
InChI Key:
VNYCNEZSUHRXMT-UHFFFAOYSA-N
SMILES:
CNC(=S)Nc1cccc2c1cccc2
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties