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Home > Imidazoles > 93392-79-1
93392-79-1 | sodium [(4-methyl-1H-imidazol-5-yl)methyl]sulfanide
CAS No: 93392-79-1 Catalog No: AG01EIAJ MDL No:
Product Description
Catalog Number:
AG01EIAJ
Chemical Name:
sodium [(4-methyl-1H-imidazol-5-yl)methyl]sulfanide
CAS Number:
93392-79-1
Molecular Formula:
C5H7N2NaS
Molecular Weight:
150.1772
IUPAC Name:
sodium;(5-methyl-1H-imidazol-4-yl)methanethiolate
InChI:
InChI=1S/C5H8N2S.Na/c1-4-5(2-8)7-3-6-4;/h3,8H,2H2,1H3,(H,6,7);/q;+1/p-1
InChI Key:
ZJMRKEOUOKSWAE-UHFFFAOYSA-M
SMILES:
[S-]Cc1c(C)nc[nH]1.[Na+]
Properties
Complexity:
81.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.023g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.175g/mol
Monoisotopic Mass:
150.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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