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27849-33-8 | Carbamodithioic acid, dimethyl-, 2-hydroxyethyl ester (9CI)
CAS No: 27849-33-8 Catalog No: AG002UX6 MDL No:
Product Description
Catalog Number:
AG002UX6
Chemical Name:
Carbamodithioic acid, dimethyl-, 2-hydroxyethyl ester (9CI)
CAS Number:
27849-33-8
Molecular Formula:
C5H11NOS2
Molecular Weight:
165.2769
IUPAC Name:
2-hydroxyethyl N,N-dimethylcarbamodithioate
InChI:
InChI=1S/C5H11NOS2/c1-6(2)5(8)9-4-3-7/h7H,3-4H2,1-2H3
InChI Key:
VXIYIWAJIVBUAY-UHFFFAOYSA-N
SMILES:
OCCSC(=S)N(C)C
Properties
Complexity:
95
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.028g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.269g/mol
Monoisotopic Mass:
165.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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