Thiosultap
基本情報
- CAS
98968-92-4- 標準SMILES
CN(C)C(CSS(=O)(=O)O)CSS(=O)(=O)O- InChIKey
PYNKFIVDSJSNGL-UHFFFAOYSA-N- 分子式
- C5H13NO6S4
- 平均分子量
- 311.4 g/mol
- 単同位体質量
- 310.96257183
概要
Thiosultap is a nereistoxin analogue insecticide that is 2-(dimethylamino)propane-1,3-dithiol with both sulfhydryls bearing sulfate groups. It is a conjugate acid of a thiosultap(1-).
名称と識別子
- 優先名称
- Thiosultap
- IUPAC
- 2-(dimethylamino)-1,3-bis(sulfosulfanyl)propane
- 英語名
- 2-dimethylamino-1,3-bis(sulfosulfanyl)propane
- 分子式
- C5H13NO6S4
- 分子量
- 311.42
名称と別名
thiosultapThiosultap [ISO]RA4HCQ7UPEUNII-RA4HCQ7UPES,S'-(2-(Dimethylamino)-1,3-propanediyl)thiosulfuric acid esterDTXSID8058615CHEBI:39199Thiosulfuric acid (H2S2O3), S,S'-(2-(dimethylamino)-1,3-propanediyl) esterS,S'-[2-(dimethylamino)propane-1,3-diyl] bis[hydrogen(thiosulfate)]S,S'-(2-(dimethylamino)propane-1,3-diyl) bis(hydrogen(thiosulfate))Thiosulfuric acid (H2S2O3), S,S'-[2-(dimethylamino)-1,3-propanediyl] esterRefChem:189659
名称をさらに表示
2-dimethylamino-1,3-bis(sulfosulfanyl)propaneThiosulfuric acid (H2S2O3), SS,SS'-[2-(dimethylamino)-1,3-propanediyl] ester
DTXCID60323002-N,N-dimethylamino-1-thiosulphate-3-(sodium thiosulphate)propaneDIHYDROGEN S,S'-(2-(DIMETHYLAMINO)TRIMETHYLENE)DI(THIOSULFATE)THIOSULFURIC ACID (H(SUB 2)S(SUB 2)O(SUB 3)) S,S'-(2-(DIMETHYLAMINO)-1,3-PROPANEDIYL) ESTER98968-92-4Thiosultap Sodium Salt2-Dimethylamino-1,3-bisthiosulfopropaneDmapdt
データベース識別子
- CAS
98968-92-4- PubChem CID
- 127198
- DTXSID
DTXSID8058615- ChEMBL
CHEMBL3139703- ChEBI
CHEBI:39199- UNII
- RA4HCQ7UPE
物性
構造計算による物性
- XLogP
- -3.3
- 極性表面積
- 179 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 9
- 回転可能結合数
- 7
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 354
物理化学的性質
- 比重(密度)
- 1.695 · 1.695±0.06 g/cm3(Predicted)
- 溶解性
- Methanol (Slightly, Heated), Water (Slightly)
- 外見
- Solid
- 酸解離定数(Pka)
- -4.79 · -4.79±0.30(Predicted)
- 色
- White to Off-White
- 安定性
- Hygroscopic
化学と産業
薬理情報
MeSH Pharmacological ClassificationPesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
補足説明
定義ChEBI: A nereistoxin analogue insecticide that is 2-(dimethylamino)propane-1,3-dithiol with both sulfhydryls bearing sulfate groups.
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