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6540-86-9 | 2,4,6-TRITHIAHEPTANE
CAS No: 6540-86-9 Catalog No: AG003FOI MDL No:MFCD08436096
Product Description
Catalog Number:
AG003FOI
Chemical Name:
2,4,6-TRITHIAHEPTANE
CAS Number:
6540-86-9
MDL Number:
MFCD08436096
IUPAC Name:
methylsulfanyl(methylsulfanylmethylsulfanyl)methane
InChI:
InChI=1S/C4H10S3/c1-5-3-7-4-6-2/h3-4H2,1-2H3
InChI Key:
PQFOEUXAUYRCAY-UHFFFAOYSA-N
EC Number:
613-792-3
UNII:
NUN90O9MA6
NSC Number:
710986
FEMA Number:
4214
Properties
Complexity:
26.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.994g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.304g/mol
Monoisotopic Mass:
153.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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