Home Other Building Blocks 4-(isothiocyanatomethyl)-1-methylpiperidine

4-(isothiocyanatomethyl)-1-methylpiperidine

CAS No.:
1250783-91-5
Catalog Number:
AG01ABQI
Molecular Formula:
C8H14N2S
Molecular Weight:
170.2752
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Product Description
Catalog Number:
AG01ABQI
Chemical Name:
4-(isothiocyanatomethyl)-1-methylpiperidine
CAS Number:
1250783-91-5
Molecular Formula:
C8H14N2S
Molecular Weight:
170.2752
MDL Number:
MFCD16110656
IUPAC Name:
4-(isothiocyanatomethyl)-1-methylpiperidine
InChI:
InChI=1S/C8H14N2S/c1-10-4-2-8(3-5-10)6-9-7-11/h8H,2-6H2,1H3
InChI Key:
PQYUSMJAYCUFFR-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)CN=C=S
Properties
Complexity:
156  
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:
2  
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties