Home Halogens 7-tert-Butyl-4-chloro-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine

7-tert-Butyl-4-chloro-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine

CAS No.:
381200-95-9
Catalog Number:
AG01F2DN
Molecular Formula:
C14H17ClN2S
Molecular Weight:
280.8162
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$50
- +
5g
97%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG01F2DN
Chemical Name:
7-tert-Butyl-4-chloro-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
CAS Number:
381200-95-9
Molecular Formula:
C14H17ClN2S
Molecular Weight:
280.8162
MDL Number:
MFCD02994402
IUPAC Name:
7-tert-butyl-4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
InChI:
InChI=1S/C14H17ClN2S/c1-14(2,3)8-4-5-9-10(6-8)18-13-11(9)12(15)16-7-17-13/h7-8H,4-6H2,1-3H3
InChI Key:
DPVVLBVYZFWZFZ-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1c1CCC(Cc1s2)C(C)(C)C
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.08g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.814g/mol
Monoisotopic Mass:
280.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Properties