2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE (CAS 42159-76-2) — formula C13H18N2S, molecular weight 234.36; category organic chemicals.
| CAS Number | 42159-76-2 |
|---|---|
| Molecular Formula | C13H18N2S |
| Molecular Weight | 234.36 |
| LogP | 4.4 |
| Category | Organic Chemicals |
2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE is a carbon-based organic compound with CAS registry number 42159-76-2 and molecular formula C13H18N2S (molecular weight 234.36), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42159-76-2
Its molecular formula C13H18N2S comprises 13 C, 18 H, 2 N, 1 S atoms.
Also known as: 2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE · 2-氨基-6-叔丁基-4，5，6，7-四氢-1-苯并噻吩-3-甲腈
Category: organic chemicals
The CAS registry number of 2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE is 42159-76-2.
Molecular formula C13H18N2S, molecular weight 234.36.
It is also registered under: 2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE, 2-氨基-6-叔丁基-4，5，6，7-四氢-1-苯并噻吩-3-甲腈.
Category: Organic Chemicals.
Independent reference data for 2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE (CAS 42159-76-2), compiled from public chemistry databases.
| CAS 号 | 42159-76-2 |
|---|---|
| PubChem CID | 616417 |
| 分子式 | C13H18N2S |
| IUPAC 名称 | 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| UNII（FDA） | HMS1535K10 |
| Molecular Weight | 234.36 |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 234.11906976 |
| Monoisotopic Mass | 234.11906976 |
| Topological Polar Surface Area | 78.1 |
| Heavy Atom Count | 16 |
42159-76-2; 2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile; DTXSID70346922; RefChem:255862; DTXCID60297994; 840-317-9; 2-amino-6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile; MFCD00128283; 2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile; C13H18N2S; 2-Amino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile; 2-Amino-6-t-butyl-3-cyano-4,5,6,7-tetrahydrothianaphthene; 2-Amino-6-tert-butyl-4567-tetrahydro-1-benzothiophene-3-carbonitrile; Benzothiophene-3-carbonitrile, 4,5,6,7-tetrahydro-2-amino-6-(1,1-dimethylethyl)-; 2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-BENZO(B)THIOPHENE-3-CARBONITRILE; QDIYAWBTKKYATE-UHFFFAOYSA-N
| 已通报的危害声明 | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
2-氨基-6-叔丁基-4，5，6，7-四氢-1-苯并噻吩-3-甲腈 · CAS 42159-76-2 · C13H18N2S. UNII HMS1535K10.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.