4,5-Dihydro-2-(methylthio)thiazole

HCID 88324

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Basic information

CAS: 19975-56-5
Standard SMILES: CSC1=NCCS1
InChIKey: QFGRBBWYHIYNIB-UHFFFAOYSA-N
Molecular formula: C4H7NS2
Average molar mass: 133.2 g/mol
Monoisotopic mass: 133.00199122

Names & identifiers

Preferred name: 4,5-Dihydro-2-(methylthio)thiazole
IUPAC: 2-methylsulfanyl-4,5-dihydro-1,3-thiazole
English name: 2-(Methylthio)-2-thiazoline
Molecular formula: C4H7NS2
Molecular weight: 133.24

Names & synonyms

19975-56-54,5-Dihydro-2-(methylthio)thiazoleDTXSID50173773EINECS 243-447-9NSC 196203RefChem:507737DTXCID1096264243-447-92-(Methylthio)-2-thiazoline2-(Methylthio)-4,5-dihydrothiazole2-Methylthio-2-thiazoline2-(Methylthio)thiazoline

Show more names

2-Thiazoline, 2-(methylthio)-2-(Methylthio)-2-thiazoline>2-(METHYLMERCAPTO)-2-THIAZOLINE2-(Methylsulfanyl)-1,3-thiazole2-(Methylthio)-2-thiazoline 97%2-(METHYLTHIO)-2-THIAZOLINE 99+%

Thiazole, 4,5-dihydro-2-(methylthio)-2-methylsulfanyl-4,5-dihydro-1,3-thiazoleMFCD000053122-(Methylsulfanyl)-4,5-dihydro-1,3-thiazole2-methylthiothiazoline2-(Methylmercapto)-2-thiazoline2-(methylthio)-1,3-thiazoline4,5-dihydro-2-methylthiothiazole

Database identifiers

CAS: 19975-56-5
PubChem CID: 88324
DTXSID: DTXSID50173773
UNII: H7RAG4X25D
EC Number: 243-447-9
Nikkaji: J82.916A

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 63 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 89.7

Physicochemical properties

Boiling point: 216 · 216-217 °C (lit.)
Density: 1.226 g/mL · 1.226 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.592(lit.)
Flash point: 208 °F · 208 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
pka: 4.74 · 4.74±0.10(Predicted)
color: Colorless to Light yellow
BRN: 106353 · 106353
InChI: 1S/C4H7NS2/c1-6-4-5-2-3-7-4/h2-3H2,1H3
InChIKey: QFGRBBWYHIYNIB-UHFFFAOYSA-N
SMILES: CSC1=NCCS1
FDA UNII: 7 RAG4X25D · H7RAG4X25D
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: Eyeshields, Gloves
Safety Statements: 23 · 23-24/25
RIDADR: 3334 · UN 3334
WGK Germany: 3 · 3
F: 8 · 8-9-13
HS Code: 29341000 · 29341000
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

F: 8-9-13
PPE: Eyeshields, Gloves
wgk: 3
ridadr: UN 3334
hs_code: 29341000
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Usesthiazolidin e thione pharmaceutical intermediate

Uses2-(Methylthio)-2-thiazoline has been used in the preparation of:novel tri- and tetracyclic hetero systems, via reaction with heteroaromatic 2-aminoesters2-(2-chlorobenzylamino)-2-thiazoline