4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 21358-12-3) — formula C12H13N3S, molecular weight 231.32; category organic chemicals.
| CAS Number | 21358-12-3 |
|---|---|
| Molecular Formula | C12H13N3S |
| Molecular Weight | 231.32 |
| LogP | 2.2 |
| Category | Organic Chemicals |
4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL is a carbon-based organic compound with CAS registry number 21358-12-3 and molecular formula C12H13N3S (molecular weight 231.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21358-12-3
Its molecular formula C12H13N3S comprises 12 C, 13 H, 3 N, 1 S atoms.
Also known as: 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL · 4-烯丙基-5-苄基-4H-[1,2,4]三唑-3-硫醇
Category: organic chemicals
The CAS registry number of 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL is 21358-12-3.
Molecular formula C12H13N3S, molecular weight 231.32.
It is also registered under: 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-烯丙基-5-苄基-4H-[1,2,4]三唑-3-硫醇.
Category: Organic Chemicals.
Independent reference data for 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 21358-12-3), compiled from public chemistry databases.
| CAS 号 | 21358-12-3 |
|---|---|
| PubChem CID | 889578 |
| 分子式 | C12H13N3S |
| IUPAC 名称 | 3-benzyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione |
| UNII（FDA） | HMS2710I11 |
| Molecular Weight | 231.32 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 231.08301860 |
| Monoisotopic Mass | 231.08301860 |
| Topological Polar Surface Area | 59.7 |
| Heavy Atom Count | 16 |
4-allyl-5-benzyl-4H-1,2,4-triazole-3-thiol; 21358-12-3; DTXSID10358362; RefChem:289693; DTXCID90309418; 5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 3-benzyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione; MFCD00519076; 5-benzyl-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; CDS1_004355; CBMicro_023939; MixCom6_000963; MLS000718634; DivK1c_005395; CHEMBL1527133; SCHEMBL28820735
4-烯丙基-5-苄基-4H-[1,2,4]三唑-3-硫醇 · CAS 21358-12-3 · C12H13N3S. UNII HMS2710I11.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.