Home Other Building Blocks 1-isothiocyanato-2-(methylsulfanyl)ethane

1-isothiocyanato-2-(methylsulfanyl)ethane

CAS No.:
4430-37-9
Catalog Number:
AG01A236
Molecular Formula:
C4H7NS2
Molecular Weight:
133.2351
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A236
Chemical Name:
1-isothiocyanato-2-(methylsulfanyl)ethane
CAS Number:
4430-37-9
Molecular Formula:
C4H7NS2
Molecular Weight:
133.2351
MDL Number:
MFCD00123929
IUPAC Name:
1-isothiocyanato-2-methylsulfanylethane
InChI:
InChI=1S/C4H7NS2/c1-7-3-2-5-4-6/h2-3H2,1H3
InChI Key:
NRORKJAOHOBIMQ-UHFFFAOYSA-N
SMILES:
CSCCN=C=S
Properties
Complexity:
75.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.002g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.227g/mol
Monoisotopic Mass:
133.002g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties