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99977-37-4 | 1,3,4-Thiadiazole, 2,5-bis[(2-methylpropyl)thio]-
CAS No: 99977-37-4 Catalog No: AG003VO3 MDL No:
Product Description
Catalog Number:
AG003VO3
Chemical Name:
1,3,4-Thiadiazole, 2,5-bis[(2-methylpropyl)thio]-
CAS Number:
99977-37-4
Molecular Formula:
C10H18N2S3
Molecular Weight:
262.4583
IUPAC Name:
2,5-bis(2-methylpropylsulfanyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C10H18N2S3/c1-7(2)5-13-9-11-12-10(15-9)14-6-8(3)4/h7-8H,5-6H2,1-4H3
InChI Key:
QQYOLPCBHGLHBT-UHFFFAOYSA-N
SMILES:
CC(CSc1nnc(s1)SCC(C)C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.448g/mol
Monoisotopic Mass:
262.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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