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4886-16-2 | 3,5-Bis(methylthio)-4-isothiazolecarbonyl chloride
CAS No: 4886-16-2 Catalog No: AG00DP92 MDL No:MFCD00176930
Product Description
Catalog Number:
AG00DP92
Chemical Name:
3,5-Bis(methylthio)-4-isothiazolecarbonyl chloride
CAS Number:
4886-16-2
Molecular Formula:
C6H6ClNOS3
Molecular Weight:
239.7659
MDL Number:
MFCD00176930
IUPAC Name:
3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride
InChI:
InChI=1S/C6H6ClNOS3/c1-10-5-3(4(7)9)6(11-2)12-8-5/h1-2H3
InChI Key:
RGTALKSXFRVNIG-UHFFFAOYSA-N
SMILES:
CSc1snc(c1C(=O)Cl)SC
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.93g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.75g/mol
Monoisotopic Mass:
238.93g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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