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1017337-78-8 | 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[5',1':2,3][1,3]THIAZOLO[5,4-C]PYRIDINE
CAS No: 1017337-78-8 Catalog No: AG01DX6L MDL No:MFCD09886611
Product Description
Catalog Number:
AG01DX6L
Chemical Name:
5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[5',1':2,3][1,3]THIAZOLO[5,4-C]PYRIDINE
CAS Number:
1017337-78-8
Molecular Formula:
C7H8N4S
Molecular Weight:
180.2302
MDL Number:
MFCD09886611
IUPAC Name:
7-thia-2,3,5,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene
InChI:
InChI=1S/C7H8N4S/c1-2-8-3-6-5(1)11-7(12-6)9-4-10-11/h4,8H,1-3H2
InChI Key:
YDUHPSMTUHAWKP-UHFFFAOYSA-N
SMILES:
C1NCc2c(C1)n1ncnc1s2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.229g/mol
Monoisotopic Mass:
180.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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