3,5-dihydro-2H-1,5-benzothiazepin-4-one - CAS 53454-43-6
Catalog: |
BB067386 |
Product Name: |
3,5-dihydro-2H-1,5-benzothiazepin-4-one |
CAS: |
53454-43-6 |
Synonyms: |
2,3-Dihydro-1,5-benzothiazepin-4(5H)-one; 3,5-dihydro-2H-1,5-benzothiazepin-4-one; 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-; 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one; 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one; 2,3-Dihydro-5H-benzo[b][1,4]thiazepin-4-one |
IUPAC Name: | 3,5-dihydro-2H-1,5-benzothiazepin-4-one |
Description: | 3,5-dihydro-2H-1,5-benzothiazepin-4-one (cas# 53454-43-6) is a useful research chemical. |
Molecular Weight: | 179.24 |
Molecular Formula: | C9H9NOS |
Canonical SMILES: | C1CSC2=CC=CC=C2NC1=O |
InChI: | InChI=1S/C9H9NOS/c11-9-5-6-12-8-4-2-1-3-7(8)10-9/h1-4H,5-6H2,(H,10,11) |
InChI Key: | VNUDPFLTWOKTKQ-UHFFFAOYSA-N |
Melting Point: | 216 - 217°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 20°C, Inert atmosphere |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.04048508 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.04048508 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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