3-allyl-1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea (CAS 93856-92-9) — formula C13H17N3O4S, molecular weight 311.36; category organic chemicals.
| CAS Number | 93856-92-9 |
|---|---|
| Molecular Formula | C13H17N3O4S |
| Molecular Weight | 311.36 |
| LogP | 1 |
| Category | Organic Chemicals |
3-allyl-1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea is a carbon-based organic compound with CAS registry number 93856-92-9 and molecular formula C13H17N3O4S (molecular weight 311.36), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 93856-92-9
Its molecular formula C13H17N3O4S comprises 13 C, 17 H, 3 N, 4 O, 1 S atoms.
Also known as: 3-allyl-1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea · 3-烯丙基-1-[2-羟基-1-(羟甲基)-2-(4-硝基苯基)乙基]硫脲
Category: organic chemicals
The CAS registry number of 3-allyl-1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea is 93856-92-9.
Molecular formula C13H17N3O4S, molecular weight 311.36.
It is also registered under: 3-allyl-1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea, 3-烯丙基-1-[2-羟基-1-(羟甲基)-2-(4-硝基苯基)乙基]硫脲.
Category: Organic Chemicals.
Independent reference data for 3-allyl-1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea (CAS 93856-92-9), compiled from public chemistry databases.
| CAS 号 | 93856-92-9 |
|---|---|
| PubChem CID | 3022659 |
| 分子式 | C13H17N3O4S |
| IUPAC 名称 | 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-prop-2-enylthiourea |
| UNII（FDA） | NS00063186 |
| Molecular Weight | 311.36 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 311.09397721 |
| Monoisotopic Mass | 311.09397721 |
| Topological Polar Surface Area | 142 |
| Heavy Atom Count | 21 |
EINECS 299-126-9; 93856-92-9; 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea; DTXSID40917481; TWJSRGVAULVARB-UHFFFAOYSA-N; NS00063186; N-[1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl]-N'-(prop-2-en-1-yl)carbamimidothioic acid; N-[1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl]-N'-prop-2-en-1-ylcarbamimidothioic acid
3-烯丙基-1-[2-羟基-1-(羟甲基)-2-(4-硝基苯基)乙基]硫脲 · CAS 93856-92-9 · C13H17N3O4S. UNII NS00063186.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.