Home Carboxys Methyl3-isothiocyanatothiophene-2-carboxylate

Methyl3-isothiocyanatothiophene-2-carboxylate

CAS No.:
81321-10-0
Catalog Number:
AG005AXL
Molecular Formula:
C7H5NO2S2
Molecular Weight:
199.2501
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$66
- +
1g
98%
1 week
United States
$94
- +
5g
98%
1 week
United States
$219
- +
25g
98%
1 week
United States
$580
- +
Product Description
Catalog Number:
AG005AXL
Chemical Name:
Methyl3-isothiocyanatothiophene-2-carboxylate
CAS Number:
81321-10-0
Molecular Formula:
C7H5NO2S2
Molecular Weight:
199.2501
MDL Number:
MFCD00052589
IUPAC Name:
methyl 3-isothiocyanatothiophene-2-carboxylate
InChI:
InChI=1S/C7H5NO2S2/c1-10-7(9)6-5(8-4-11)2-3-12-6/h2-3H,1H3
InChI Key:
RKBLURUDWDTMOB-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccsc1C(=O)OC
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.976g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.242g/mol
Monoisotopic Mass:
198.976g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties