Home Other Building Blocks 2-(1-isothiocyanatoethyl)oxolane

2-(1-isothiocyanatoethyl)oxolane

CAS No.:
1153129-43-1
Catalog Number:
AG01A9RU
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
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Product Description
Catalog Number:
AG01A9RU
Chemical Name:
2-(1-isothiocyanatoethyl)oxolane
CAS Number:
1153129-43-1
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
MDL Number:
MFCD12195440
IUPAC Name:
2-(1-isothiocyanatoethyl)oxolane
InChI:
InChI=1S/C7H11NOS/c1-6(8-5-10)7-3-2-4-9-7/h6-7H,2-4H2,1H3
InChI Key:
AZSLONXMXZZZTL-UHFFFAOYSA-N
SMILES:
S=C=NC(C1CCCO1)C
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.056g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.231g/mol
Monoisotopic Mass:
157.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties