2-Butylbenzo[D]isothiazol-3(2H)-one - CAS 4299-07-4
Catalog: |
BB070880 |
Product Name: |
2-Butylbenzo[D]isothiazol-3(2H)-one |
CAS: |
4299-07-4 |
Synonyms: |
2-butylbenzo[d]isothiazol-3(2H)-one; 2-Butyl-1,2-benzisothiazolin-3-one; 1,2-Benzisothiazol-3(2H)-one, 2-butyl-; 2-BUTYL-1,2-BENZOTHIAZOL-3-ONE; 2-Butyl-2,3-dihydrobenzisothiazol-3-one; n-butyl-1,2-benzisothiazolin-3-one; 2-Butyl-1,2-benzisothiazolin-3(2H)-one |
IUPAC Name: | 2-butyl-1,2-benzothiazol-3-one |
Description: | 2-Butylbenzo[D]isothiazol-3(2H)-one (cas# 4299-07-4) is a useful research chemical. |
Molecular Weight: | 207.29 |
Molecular Formula: | C11H13NOS |
Canonical SMILES: | CCCCN1C(=O)C2=CC=CC=C2S1 |
InChI: | InChI=1S/C11H13NOS/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3 |
InChI Key: | LUYIHWDYPAZCNN-UHFFFAOYSA-N |
Solubility: | Methanol (Slightly) |
Appearance: | Orange Oil |
Storage: | 4°C, Inert atmosphere |
GHS Hazard Statement: | H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P313, P362+P364, P363, P391, P405, and P501 |
Signal Word: | Danger |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.07178521 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.07178521 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 45.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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