Home Other Building Blocks 1-ethyl-2-(isothiocyanatomethyl)pyrrolidine

1-ethyl-2-(isothiocyanatomethyl)pyrrolidine

CAS No.:
51218-09-8
Catalog Number:
AG019KI7
Molecular Formula:
C8H14N2S
Molecular Weight:
170.2752
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019KI7
Chemical Name:
1-ethyl-2-(isothiocyanatomethyl)pyrrolidine
CAS Number:
51218-09-8
Molecular Formula:
C8H14N2S
Molecular Weight:
170.2752
MDL Number:
MFCD08444940
IUPAC Name:
1-ethyl-2-(isothiocyanatomethyl)pyrrolidine
InChI:
InChI=1S/C8H14N2S/c1-2-10-5-3-4-8(10)6-9-7-11/h8H,2-6H2,1H3
InChI Key:
YXKNCCRAEIDNCW-UHFFFAOYSA-N
SMILES:
S=C=NCC1CCCN1CC
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.088g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.274g/mol
Monoisotopic Mass:
170.088g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties