Home Other Building Blocks 1-isothiocyanato-1-methylcyclobutane

1-isothiocyanato-1-methylcyclobutane

CAS No.:
1599342-41-2
Catalog Number:
AG01C1BC
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
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Product Description
Catalog Number:
AG01C1BC
Chemical Name:
1-isothiocyanato-1-methylcyclobutane
CAS Number:
1599342-41-2
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
MDL Number:
MFCD29041356
IUPAC Name:
1-isothiocyanato-1-methylcyclobutane
InChI:
InChI=1S/C6H9NS/c1-6(7-5-8)3-2-4-6/h2-4H2,1H3
InChI Key:
RVKJUDYTCHFOGH-UHFFFAOYSA-N
SMILES:
S=C=NC1(C)CCC1
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.046g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.205g/mol
Monoisotopic Mass:
127.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties