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146258-49-3 | Carbonothioate, hydrogen (9CI)
CAS No: 146258-49-3 Catalog No: AG001DU3 MDL No:
Product Description
Catalog Number:
AG001DU3
Chemical Name:
Carbonothioate, hydrogen (9CI)
CAS Number:
146258-49-3
Molecular Formula:
CHO2S-
Molecular Weight:
77.0824
IUPAC Name:
hydroxymethanethioate
InChI:
InChI=1S/CH2O2S/c2-1(3)4/h4H,(H,2,3)/p-1
InChI Key:
HDFRDWFLWVCOGP-UHFFFAOYSA-M
SMILES:
[O-]C(=S)O
Properties
Complexity:
33
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
76.97g/mol
Formal Charge:
-1
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
77.077g/mol
Monoisotopic Mass:
76.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Oxidative metabolism of carbon disulfide by isolated rat hepatocytes and microsomes. | Biochemical pharmacology 19870201 |
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