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Home > Nitro Compounds > 209670-40-6
209670-40-6 | 1,3,4-Thiadiazole, 2-[(cyclopropylmethyl)thio]-5-[(5-nitro-2-thiazolyl)thio]-
CAS No: 209670-40-6 Catalog No: AG002KCR MDL No:MFCD01765411
Product Description
Catalog Number:
AG002KCR
Chemical Name:
1,3,4-Thiadiazole, 2-[(cyclopropylmethyl)thio]-5-[(5-nitro-2-thiazolyl)thio]-
CAS Number:
209670-40-6
Molecular Formula:
C9H8N4O2S4
Molecular Weight:
332.4454
MDL Number:
MFCD01765411
IUPAC Name:
2-(cyclopropylmethylsulfanyl)-5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
InChI:
InChI=1S/C9H8N4O2S4/c14-13(15)6-3-10-7(17-6)18-9-12-11-8(19-9)16-4-5-1-2-5/h3,5H,1-2,4H2
InChI Key:
UQYAZFJQDWZFIQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(s1)Sc1nnc(s1)SCC1CC1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.953g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.429g/mol
Monoisotopic Mass:
331.953g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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