2-Isopropyl-5,5-dimethylthiazolidine-4-carbonitrile

HCID 21395911
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Basic information

CAS
13206-50-3
Standard SMILES
CC(C)C1NC(C#N)C(C)(C)S1
InChIKey
XRKZVUKVOZHPEQ-UHFFFAOYSA-N
Molecular formula
C9H16N2S
Average molar mass
184.3 g/mol
Monoisotopic mass
184.10341969

Names & identifiers

Preferred name
2-Isopropyl-5,5-dimethylthiazolidine-4-carbonitrile
IUPAC
5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile
English name
2-Isopropyl-5,5-DimethylThiazolidine-4-CarboNitrile
Molecular formula
C9H16N2S
Molecular weight
184.3

Names & synonyms

2-isopropyl-5,5-dimethylthiazolidine-4-carbonitrile13206-50-35,5-Dimethyl-2-(1-methylethyl)-4-thiazolidinecarbonitrile924WNL9NFUSCHEMBL10679783XRKZVUKVOZHPEQ-UHFFFAOYSA-NDTXSID801195242DB-1644614-Thiazolidinecarbonitrile, 5,5-dimethyl-2-(1-methylethyl)-5,5-Dimethyl-2-(propan-2-yl)-1,3-thiazolidine-4-carbonitrile5,5-dimethyl-2-isopropylthiazolidine-4-carbonitrile

Database identifiers

CAS
13206-50-3
PubChem CID
21395911
DTXSID
DTXSID801195242
UNII
924WNL9NFU
EC Number
603-545-8

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
61.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
304.8 · 304.8±37.0 °C(Predicted)
Density
1.04 · 1.04±0.1 g/cm3(Predicted)
pka
5.17 · 5.17±0.70(Predicted)

Chemistry & industry

Suppliers7 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653
sgtlifesciences pvt ltd+91-8790379245 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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