2-Thiazolin-2-ylamin

4,5-Dihydro-2-thiazolamine

HCID 15689CAS 1779-81-3

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Grundinformationen

Standard-SMILES: NC1=NCCS1
InChIKey: REGFWZVTTFGQOJ-UHFFFAOYSA-N
Summenformel: C3H6N2S
Durchschnittliche Molmasse: 102,16 g/mol
Monoisotopische Masse: 102,02516919

Überblick

4,5-dihydro-1,3-thiazol-2-amine is a 1,3-thiazole that is 4,5-dihydro-1,3-thiazole substituted by an amino group at position 2. It is a member of 1,3-thiazoles and a primary amino compound.

Namen und Bezeichner

Bevorzugter Name: 4,5-Dihydro-2-thiazolamine
IUPAC: 4,5-dihydro-1,3-thiazol-2-amine
Lokaler Name: 2-Thiazolin-2-ylamin
Englischer Name: 2-Amino-2-thiazoline
Summenformel: C3H6N2S
Molmasse: 102.16

Namen und Synonyme

1779-81-32-Aminothiazoline2-Thiazolamine, 4,5-dihydro-2-Iminothiazolidine2-Amino-4,5-dihydrothiazoline4,5-DIHYDRO-2-THIAZOLAMINE5JC2YZG56QDTXSID4061961RefChem:465227DTXCID10356582-Amino-2-thiazoline4,5-dihydrothiazol-2-amine

Weitere Namen anzeigen

CamfazolinumAURORA KA-679Amino-2-thiazoline2-Amino Thiazolene2-amino-2-thiazolinTIMTEC-BB SBB004361

4,5-Dihydro-1,3-thiazol-2-amine2-Thiazolidinimine2-Amino-4,5-dihydrothiazole2-Thiazoline, 2-amino-USAF PD-57MFCD00005313NSC 3110NSC 24626

Datenbank-Bezeichner

CAS: 1779-81-3
PubChem CID: 15689
DTXSID: DTXSID4061961
ChEMBL: CHEMBL362148
ChEBI: CHEBI:40889
UNII: 5JC2YZG56Q
EC Number: 217-224-1
Nikkaji: J48.823B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 63,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 78,9

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Schmelzpunkt: 79 · 79-82 °C(lit.)
Siedepunkt: 221.8 · 221.8±23.0 °C(Predicted)
Dichte: 1.139 · 1.139 (estimate)
Brechungsindex: 1.55 · 1.5500 (estimate)
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 8.04 · 8.04±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to off-white
Wasserlöslichkeit: Soluble in water.
BRN: 105367 · 105367
InChI: 1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
InChIKey: REGFWZVTTFGQOJ-UHFFFAOYSA-N
SMILES: S1CCNC1=N
CAS Datenbank: 1779 · 1779-81-3(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Thiazolamine, 4,5-dihydro- (1779-81-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Thiazolamine, 4,5-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 9
wgk: 3
tsca: TSCA listed
hs_code: 29341000
RTECS-Nr.: XJ6540000
risk_code: 36/37/38
Toxizität: mouse,LD50,intraperitoneal,150mg/kg (150mg/kg),National Technical Information Service. Vol. AD691-490,
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids