5-(2-(Methylthio)-4-pyrimidinyl)-2-thiophenesulfonyl chloride

HCID 2736995CAS 175202-76-3

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Basic information

Standard SMILES: CSc1nccc(-c2ccc(S(=O)(=O)Cl)s2)n1
InChIKey: NHYJWHQTVHUETC-UHFFFAOYSA-N
Molecular formula: C9H7ClN2O2S3
Average molar mass: 306.8 g/mol
Monoisotopic mass: 305.93581814

Names & identifiers

Preferred name: 5-(2-(Methylthio)-4-pyrimidinyl)-2-thiophenesulfonyl chloride
IUPAC: 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride
English name: 5-[2-(METHYLTHIO)PYRIMIDIN-4-YL]THIOPHENE-2-SULFONYL CHLORIDE
Molecular formula: C9H7ClN2O2S3
Molecular weight: 306.81

Names & synonyms

175202-76-35-(2-(Methylthio)-4-pyrimidinyl)-2-thiophenesulfonyl chloride5-[2-(Methylthio)-4-pyrimidinyl]-2-thiophenesulfonyl chlorideRefChem:2993665-[2-(Methylthio)pyrimidin-4-yl]thiophene-2-sulfonyl chloride5-(2-(methylthio)pyrimidin-4-yl)thiophene-2-sulfonyl chloride5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl Chloride5-[2-(methylthio)pyrimidin-4-yl]thiophene-2-sulphonyl chlorideMFCD001787565-(2-methylsulfanyl-pyrimidin-4-yl)-thiophene-2-sulfonyl chlorideNHYJWHQTVHUETC-UHFFFAOYSA-NSCHEMBL787849

Show more names

BUTTPARK 29\06-192-(methylthio)-4-thiophen-2-ylpyrimidine5-[2-(Methylthio)pyrimidin-4-yl]thiophene-2-Thiophenesulfonyl chloride, 5-[2-(methylthio)-4-pyrimidinyl]-5-[2-(Methylsulphanyl)pyrimidin-4-yl]thiophene-2-sulphonylchloride5-[2-(Methylthio)pyrimidin-4-yl]thiophene-2-sulfonyl chloride, 95+%

DTXSID103717532-Thiophenesulfonylchloride, 5-[2-(methylthio)-4-pyrimidinyl]-5-[2-(methylsulfanyl)pyrimidin-4-yl]thiophene-2-sulfonyl chloride5-[2-(Methylsulphanyl)pyrimidin-4-yl]thiophene-2-sulphonyl chlorideSBB055029AKOS008901078BP-10430CS-0333850

Database identifiers

CAS: 175202-76-3
PubChem CID: 2736995
DTXSID: DTXSID10371753
EC Number: 673-098-1

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 122 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 360

Physicochemical properties

Melting point: 129 °C · 129 °C
Boiling point: 98 · 98-100°/2mm
Density: 1.223 · 1.223
refractive index: 1.591 · 1.591
CAS DataBase Reference: 175202 · 175202-76-3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: C,Xi
Risk Statements: 34 · 34-43-36
Safety Statements: 26 · 26-36/37/39-36/37
RIDADR: 3261 · 3261
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.