Carbamodithioic acid, diethyl-, 2-benzothiazolyl ester


Chemical Name: Carbamodithioic acid, diethyl-, 2-benzothiazolyl ester
CAS Number: 95-30-7
Product Number: AG00IIOH(AGN-PC-0JK7ZN)
Synonyms:
MDL No:
Molecular Formula: C12H14N2S3
Molecular Weight: 282.4480

Identification/Properties


Computed Properties
Molecular Weight:
282.438g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
282.032g/mol
Monoisotopic Mass:
282.032g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
269
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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