Home Other Building Blocks 1,3-Phenylene diisothiocyanate

1,3-Phenylene diisothiocyanate

CAS No.:
3125-77-7
Catalog Number:
AG003DLD
Molecular Formula:
C8H4N2S2
Molecular Weight:
192.2608
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$366
- +
5g
1 week
United States
$1281
- +
Product Description
Catalog Number:
AG003DLD
Chemical Name:
1,3-Phenylene diisothiocyanate
CAS Number:
3125-77-7
Molecular Formula:
C8H4N2S2
Molecular Weight:
192.2608
MDL Number:
MFCD01716878
IUPAC Name:
1,3-diisothiocyanatobenzene
InChI:
InChI=1S/C8H4N2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H
InChI Key:
BOLANQNHTGVOMY-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccc(c1)N=C=S
UNII:
86M48KVG07
NSC Number:
511743
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.982g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.254g/mol
Monoisotopic Mass:
191.982g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties