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58703-21-2

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Basic Information
CAS No.: 58703-21-2
Name: BIS-THIOPHEN-2-YLMETHYL-AMINE
Article Data: 5
Molecular Structure:
Molecular Structure of 58703-21-2 (BIS-THIOPHEN-2-YLMETHYL-AMINE)
Formula: C10H11NS2
Molecular Weight: 209.336
Synonyms: Di-2-thenylamine(7CI);Bis(thiophen-2-ylmethyl)amine;N,N-Bis(thien-2-ylmethyl)amine;NSC 74406;
Density: 1.226 g/cm3
Boiling Point: 309 °C at 760 mmHg
Flash Point: 140.7 °C
PSA: 68.51000
LogP: 3.49030
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Specification

The Di-2-thenylamine, also known as Bis-thiophen-2-ylmethyl-amine, is the organic compound with the formula C10H11NS2. With the CAS registry number 58703-21-2, its IUPAC name is 1-thiophen-2-yl-N-(thiophen-2-ylmethyl)methanamine.

Physical properties of Di-2-thenylamine: (1)XLogP3-AA: 2.2 ; (2)H-Bond Donor: 1 ; (3)H-Bond Acceptor: 1 ; (4)Rotatable Bond Count: 4 ; (5)Exact Mass: 209.033291 ; (6)MonoIsotopic Mass: 209.033291 ; (7)Topological Polar Surface Area: 68.5 ; (8)Heavy Atom Count: 13 ; (9)Formal Charge: 0 ; (10)Complexity: 136; (11)Defined Bond StereoCenter Count: 0; (12)Undefined Bond StereoCenter Count: 0; (13)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)CNCC2=CC=CS2
(2)InChI: InChI=1S/C10H11NS2/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6,11H,7-8H2
(3)InChIKey: RPLOKUQDTWODSZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00286,