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89723-75-1 | 1,3,4-Thiadiazole-2(3H)-thione, 5-[(2-methoxyethyl)thio]-
CAS No: 89723-75-1 Catalog No: AG0042CX MDL No:
Product Description
Catalog Number:
AG0042CX
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-[(2-methoxyethyl)thio]-
CAS Number:
89723-75-1
Molecular Formula:
C5H8N2OS3
Molecular Weight:
208.3248
IUPAC Name:
5-(2-methoxyethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C5H8N2OS3/c1-8-2-3-10-5-7-6-4(9)11-5/h2-3H2,1H3,(H,6,9)
InChI Key:
SHMBVFADBRZOAM-UHFFFAOYSA-N
SMILES:
COCCSc1n[nH]c(=S)s1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.312g/mol
Monoisotopic Mass:
207.98g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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