Home Other Building Blocks 2-(2-ISOTHIOCYANATOETHYL)THIOPHENE

2-(2-ISOTHIOCYANATOETHYL)THIOPHENE

CAS No.:
40808-63-7
Catalog Number:
AG00CHP3
Molecular Formula:
C7H7NS2
Molecular Weight:
169.2672
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Product Description
Catalog Number:
AG00CHP3
Chemical Name:
2-(2-ISOTHIOCYANATOETHYL)THIOPHENE
CAS Number:
40808-63-7
Molecular Formula:
C7H7NS2
Molecular Weight:
169.2672
MDL Number:
MFCD09901290
IUPAC Name:
2-(2-isothiocyanatoethyl)thiophene
InChI:
InChI=1S/C7H7NS2/c9-6-8-4-3-7-2-1-5-10-7/h1-2,5H,3-4H2
InChI Key:
FWEHLMFQLWSMTH-UHFFFAOYSA-N
SMILES:
S=C=NCCc1cccs1
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.002g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.26g/mol
Monoisotopic Mass:
169.002g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties