Chemical Properties of Bensulide (CAS 741-58-2)

InChI

InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3

InChI Key

RRNIZKPFKNDSRS-UHFFFAOYSA-N

Formula

C14H24NO4PS3

SMILES

CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1

Molecular Weight¹

397.51

CAS

741-58-2

Other Names

Betasan
Disan
Disan (pesticide)
N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)
N-[2-(O,O-Diisopropyldithiophosphoryl)ethyl]benzenesulfonamide
O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate
O,O-Diisopropyl S-(2-benzenesulfonylaminoethyl) phosphorodithioate
Phosphorodithioic acid, O,O-bis(1-methylethyl) S-[2-[(phenylsulfonyl)amino]ethyl] ester
Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with N-(2-mercaptoethyl)benzenesulfonamide
Prefar
R 4461
S-«beta»-(Benzenesulfonamido)ethyl O,O-diisopropyl dithiophosphate
S-Â«betaÂ»-(Benzenesulfonamido)ethyl O,O-diisopropyl dithiophosphate
SAP
SAP (herbicide)

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
T_fus : Normal melting (fusion) point (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	[-4.20; -4.20]
log₁₀WS	-4.20		Aq. Sol...
log₁₀WS	-4.20		Estimat...
logP_oct/wat	3.773		Crippen Calculated Property
McVol	287.330	ml/mol	McGowan Calculated Property
I_np	[2728.00; 2728.00]
I_np	2728.00		NIST
I_np	2728.00		NIST
I_np	2728.00		NIST
T_fus	[307.55; 311.57]	K
T_fus	307.55	K	Aq. Sol...
T_fus	311.57 ± 0.20	K	NIST

Similar Compounds

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