Chem 5 Pyridin 4 Yl 1h 124 Triazole 3 Thiol Ncc

Compound 102
  CheckMol                        TMF02:r0:m0
MF=C7H6N4S MW=178.21
 12 13  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -0.1424   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2197   -1.4363   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.4808    0.9852   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.6797   -1.1158   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8459    0.3798   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1397    1.1395   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1278    2.6589   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4335    0.3917   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4217    3.4186   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7273    1.1633   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7155    2.6707   -0.0000 N   0 00  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
  6  7  1  0  0  0  0
  7  8 02  0  1  0  0
  7  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 02  0  1  0  0
 10 12 02  0  1  0  0
  5  6 01  0  1  0  0
 11 12 01  0  1  0  0
M  END

5-(pyridin-4-yl)-1h-1,2,4-triazole-3-thiol

₹ 0.00 0.00

Chemical Name - 5-(pyridin-4-yl)-1h-1,2,4-triazole-3-thiol
Mol Weight - 178.219
Smiles - Sc1n[nH]c(-c2ccncc2)n1
InChI - PBTAXYKMCKLQSM-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H6N4S/c12-7-9-6(10-11-7)5-1-3-8-4-2-5/h1-4H,(H2,9,10,11,12)

Property Name	Property Value
Mol Name	5-(pyridin-4-yl)-1h-1,2,4-triazole-3-thiol
Molweight	178.219
Monoisotopic Mass	178.031316
Clogp	0.2547
Clogs	-2.791
H Acceptors	4
H Donors	1
Total Surface Area	134.73
Relative Psa	0.51592
Polar Surface Area	93.26
Druglikeness	-0.95272
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.38644
Molecular Complexity	0.61893
Fragments	1
Non H Atoms	12
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	1
Symmetric Atoms	2
Aromatic Nitrogens	4
Smiles	Sc1n[nH]c(-c2ccncc2)n1
InChIKey	InChI=1S/C7H6N4S/c12-7-9-6(10-11-7)5-1-3-8-4-2-5/h1-4H,(H2,9,10,11,12)
InChI	PBTAXYKMCKLQSM-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-(pyridin-4-yl)-1h-1,2,4-triazole-3-thiol
2 - 5-(pyridin-4-yl)-1h-1,2,4-triazole-3-thiol

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

5-(pyridin-4-yl)-1h-1,2,4-triazole-3-thiol