Chem 5 Bromo Benzoxazole 2 Thiol Ncc

Compound 85
  CheckMol                        TMF02:r0:m0
MF=C7H4BrNOS MW=230.08
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681   -1.2881   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2807   -1.2763   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0236   -2.5761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0488   -2.5643   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7917   -3.8642   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.5260   -2.8598   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3043   -3.8524   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6914   -4.3369   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3206   -4.9514   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
   -6.0031   -5.0814   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 01  0  1  0  0
  5  8 02  0  2  0  0
  7  9 02  0  1  0  0
  8 10 01  0  1  0  0
  9 11  1  0  0  0  0
  6  8 01  0  1  0  0
  9 10 01  0  1  0  0
M  END

5-bromo benzoxazole-2-thiol

₹ 0.00 0.00

Chemical Name - 5-bromo benzoxazole-2-thiol
Mol Weight - 230.085
Smiles - Sc1nc(cc(cc2)Br)c2o1
InChI - YFFBNUPHVZYFQL-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H4BrNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)

Property Name	Property Value
Mol Name	5-bromo benzoxazole-2-thiol
Molweight	230.085
Monoisotopic Mass	228.919695
Clogp	2.5797
Clogs	-4.17
H Acceptors	2
Total Surface Area	130.8
Relative Psa	0.3646
Polar Surface Area	64.83
Druglikeness	-5.2957
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Complexity	0.72824
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Aromatic Nitrogens	1
Smiles	Sc1nc(cc(cc2)Br)c2o1
InChIKey	InChI=1S/C7H4BrNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
InChI	YFFBNUPHVZYFQL-UHFFFAOYSA-N

Copyrights

The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.

Company profile , trade leads and products are user generated content.

Molecule Properties are generated theoretically any objection please contact us

Shipping

Usually delivered in 3-4 days

Enter pincode for exact delivery dates/charges

Credit / Debit Card Payment

We accept all major credit / debit card for payment, you can also pay through online banking.

Cash On Delivery

If Available. Select Cash on Delivery (CoD) payment option while placing the order and later, pay in cash at the time of actual delivery of product. No advance payment needed.

Click to Load Molecule
1 - 5-bromo benzoxazole-2-thiol
2 - 5-bromo benzoxazole-2-thiol

Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

5-bromo benzoxazole-2-thiol