2-Thienyl-N,N-bis(2-thienylmethylene)methanediamine - CAS 314280-18-7
Catalog: |
BB020917 |
Product Name: |
2-Thienyl-N,N-bis(2-thienylmethylene)methanediamine |
CAS: |
314280-18-7 |
Synonyms: |
(E)-1-thiophen-2-yl-N-[thiophen-2-yl-[(E)-thiophen-2-ylmethylideneamino]methyl]methanimine |
IUPAC Name: | (E)-1-thiophen-2-yl-N-[thiophen-2-yl-[(E)-thiophen-2-ylmethylideneamino]methyl]methanimine |
Description: | 2-Thienyl-N,N-bis(2-thienylmethylene)methanediamine (CAS# 314280-18-7) is a useful research chemical. |
Molecular Weight: | 316.46 |
Molecular Formula: | C15H12N2S3 |
Canonical SMILES: | C1=CSC(=C1)C=NC(C2=CC=CS2)N=CC3=CC=CS3 |
InChI: | InChI=1S/C15H12N2S3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H/b16-10+,17-11+ |
InChI Key: | JFBOACJJWSHXAS-OTYYAQKOSA-N |
Boiling Point: | 443.242 °C at 760 mmHg |
Melting Point: | 111-115 °C (lit.) |
Purity: | 95 % |
Density: | 1.31 g/cm3 |
MDL: | MFCD00686899 |
LogP: | 5.10790 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 316.01626191 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 316.01626191 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 109 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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