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262856-02-0 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(3-thienylmethyl)-
CAS No: 262856-02-0 Catalog No: AG002SL5 MDL No:MFCD01765368
Product Description
Catalog Number:
AG002SL5
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(3-thienylmethyl)-
CAS Number:
262856-02-0
Molecular Formula:
C7H6N2OS2
Molecular Weight:
198.2653
MDL Number:
MFCD01765368
IUPAC Name:
5-(thiophen-3-ylmethyl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C7H6N2OS2/c11-7-9-8-6(10-7)3-5-1-2-12-4-5/h1-2,4H,3H2,(H,9,11)
InChI Key:
ODOHSFWIZDHFRP-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(o1)Cc1cscc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.258g/mol
Monoisotopic Mass:
197.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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