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Basic Information
CAS No.: 36756-79-3
Name: TIOCARBAZIL
Molecular Structure:
Molecular Structure of 36756-79-3 (TIOCARBAZIL)
Formula: C16H25 N O S
Molecular Weight: 279.447
Synonyms: Carbamothioicacid, bis(1-methylpropyl)-, S-(phenylmethyl) ester (9CI); Drepamon; M 3432; S-Benzyldi-sec-butylthiocarbamate; Thiocarbazil; Tiocarbazil
Density: 1.022g/cm3
Melting Point: 25°C
Boiling Point: 372.5°Cat760mmHg
Flash Point: 179.1°C
Solubility: 2.5mg/L(30 oC)
Hazard Symbols: Moderately toxic by skin contact. Low toxicity by ingestion.
Safety: Moderately toxic by skin contact. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
PSA: 45.61000
LogP: 4.93880
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Chemistry

Product Name: Tiocarbazil (CAS NO.36756-79-3)


Molecular Formula: C16H25NOS
Molecular Weight: 279.48g/mol
Mol File: 36756-79-3.mol
Boiling point: 372.5 °C at 760 mmHg
Flash Point: 179.1 °C
Density: 1.022 g/cm
Surface Tension: 37.8 dyne/cm
Enthalpy of Vaporization: 61.96 kJ/mol
Vapour Pressure: 9.6E-06 mmHg at 25°C
XLogP3-AA: 4.4
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of Tiocarbazil (CAS NO.36756-79-3):
  IUPAC Name: S-benzyl N,N-di(butan-2-yl)carbamothioate
  Canonical SMILES: CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1
  InChI: InChI=1S/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3 
  InChIKey: PHSUVQBHRAWOQD-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - domestic LD50 oral > 10gm/kg (10000mg/kg)   Pesticide Manual. Vol. 9, Pg. 824, 1991.
chicken LD50 oral > 10gm/kg (10000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C117, 1991.
guinea pig LD50 oral > 10gm/kg (10000mg/kg)   Pesticide Manual. Vol. 9, Pg. 824, 1991.
mouse LD50 oral 8gm/kg (8000mg/kg)   Pesticide Manual. Vol. 9, Pg. 824, 1991.
quail LD50 oral > 10gm/kg (10000mg/kg)   Pesticide Manual. Vol. 9, Pg. 824, 1991.
rabbit LD50 oral > 10gm/kg (10000mg/kg)   Pesticide Manual. Vol. 9, Pg. 824, 1991.
rabbit LD50 skin > 1200mg/kg (1200mg/kg)   Pesticide Manual. Vol. 9, Pg. 824, 1991.
rat LD50 oral 10gm/kg (10000mg/kg)   "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 2, Pg. 92, 1977.
rat LD50 skin > 4gm/kg (4000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C117, 1991.

Safety Profile

Moderately toxic by skin contact. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.

Specification

 Tiocarbazil ,its CAS NO. is 36756-79-3,the synonyms is BRN 1972813 ; Caswell No. 082AA ; Drepamon ; EINECS 253-190-4 ; EPA Pesticide Chemical Code 110701 ; M-3432 ; N,N-Di-sec-butyl-S-benzylthiocarbamate ; S-(Phenylmethyl) bis(1-methylpropyl)carbamothioate (9CI) ; S-Benzyl N,N-di-sec-butyl thiocarbamate ; S-Benzyl di-sec-butylthiocarbamate ; S-Phenylmethyl-N,N-bis(1-methylpropyl)carbamothioate ; Carbamic acid, di-sec-butylthio-, S-benzyl ester ; Carbamothioic acid, bis(1-methylpropyl)-, S-(phenylmethyl) ester .