Home Other Building Blocks 4-isothiocyanato-1-methylpiperidine

4-isothiocyanato-1-methylpiperidine

CAS No.:
118705-17-2
Catalog Number:
AG019X5V
Molecular Formula:
C7H12N2S
Molecular Weight:
156.2486
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019X5V
Chemical Name:
4-isothiocyanato-1-methylpiperidine
CAS Number:
118705-17-2
Molecular Formula:
C7H12N2S
Molecular Weight:
156.2486
MDL Number:
MFCD12167340
IUPAC Name:
4-isothiocyanato-1-methylpiperidine
InChI:
InChI=1S/C7H12N2S/c1-9-4-2-7(3-5-9)8-6-10/h7H,2-5H2,1H3
InChI Key:
AQZKLVVGTLCSOS-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)N=C=S
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.072g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.247g/mol
Monoisotopic Mass:
156.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties