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95-35-2

Basic Information
CAS No.: 95-35-2
Name: 1,3-BIS[(2-BENZOTHIAZOYLMERCAPTO)METHYL]UREA
Molecular Structure:
Molecular Structure of 95-35-2 (1,3-BIS[(2-BENZOTHIAZOYLMERCAPTO)METHYL]UREA)
Formula: C17H14 N4 O S4
Molecular Weight: 418.59
Synonyms: Urea,1,3-bis[(2-benzothiazolylthio)methyl]- (6CI,7CI,8CI);1,3-Bis(2-benzothiazolemercaptomethyl)urea; NSC 4826
Density: 1.53g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Mildly toxic by ingestion. A human skin irritant. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 173.99000
LogP: 5.78640
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    Urea,N,N'-bis[(2-benzothiazolylthio)methyl]- cas 95-35-2Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 1,3-BIS[(2-BENZOTHIAZOYLMERCAPTO)METHYL]UREA

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    1,3-BIS[(2-BENZOTHIAZOYLMERCAPTO)METHYL]UREA

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Chemistry

Product Name: N,N'-Bis(2-benzothiazolylthiomethylene)urea (CAS NO.95-35-2)


Molecular Formula: C17H14N4OS4
Molecular Weight: 418.58g/mol
Mol File: 95-35-2.mol
Einecs: 202-412-8
Density: 1.53 g/cm3
XLogP3-AA: 5.6
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of N,N'-Bis(2-benzothiazolylthiomethylene)urea (CAS NO.95-35-2):
  IUPAC Name: 1,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)urea
  Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)SCNC(=O)NCSC3=NC4=CC=CC=C4S3
  InChI: InChI=1S/C17H14N4OS4/c22-15(18-9-23-16-20-11-5-1-3-7-13(11)25-16)19-10-24-17-21-12-6-2-4-8-14(12)26-17/h1-8H,9-10H2,(H2,18,19,22) 
  InChIKey: WYHIYIVTCWNVCW-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-hmn 500 mg/48H MLD

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 5 (1952),311.
2.    

skn-rbt 500 mg MOD

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 5 (1952),311.
3.    

orl-rat LD50:6000 mg/kg

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 5 (1952),311.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion. A human skin irritant. When heated to decomposition it emits very toxic fumes of NOx and SOx.

Specification

 N,N'-Bis(2-benzothiazolylthiomethylene)urea ,its CAS NO. is 95-35-2,the synonyms is 1,3-Bis(benzothiazol-2-ylthiomethyl)urea ; Urea, 1,3-bis(2-benzothiazolylthiomethyl)- ; Urea, N,N'-bis((2-benzothiazolylthio)methyl)- ; 1,3-Bis(2-benzothiazolemercaptomethyl)urea ; EINECS 202-412-8 .