Home Other Building Blocks 2-isothiocyanato-1,2,3,4-tetrahydronaphthalene

2-isothiocyanato-1,2,3,4-tetrahydronaphthalene

CAS No.:
173996-69-5
Catalog Number:
AG019SYW
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019SYW
Chemical Name:
2-isothiocyanato-1,2,3,4-tetrahydronaphthalene
CAS Number:
173996-69-5
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
MDL Number:
MFCD16705315
IUPAC Name:
2-isothiocyanato-1,2,3,4-tetrahydronaphthalene
InChI:
InChI=1S/C11H11NS/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11H,5-7H2
InChI Key:
CPDCVJRPTNSVTC-UHFFFAOYSA-N
SMILES:
S=C=NC1CCc2c(C1)cccc2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.061g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.276g/mol
Monoisotopic Mass:
189.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties