2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one

HCID 3603393CAS 117516-97-9

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Basic information

Standard SMILES: O=c1[nH]c(=S)[nH]c2sccc12
InChIKey: SJFBCDCLMGDIRN-UHFFFAOYSA-N
Molecular formula: C6H4N2OS2
Average molar mass: 184.2 g/mol
Monoisotopic mass: 183.9765051

Names & identifiers

Preferred name: 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
IUPAC: 2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
English name: 2-Thioxo-2,3- dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Molecular formula: C6H4N2OS2
Molecular weight: 184.24

Names & synonyms

2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-oneRefChem:483548855-756-1117516-97-92-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one2-Thioxo-2,3-2-mercaptothieno[2,3-d]pyrimidin-4(3H)-one2-sulfanylthieno[2,3-d]pyrimidin-4-ol2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-onedihydrothieno[2,3-d]pyrimidin-4(1H)-oneMFCD12406128

Show more names

2-Thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-on2,3-Dihydro-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one2-Thioxo-2,3- dihydrothieno[2,3-d]pyrimidin-4(1H)-oneThieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-2-thioxo-

2-Thioxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-oneMFCD03011932A1IR5MLS0007609352-sulfanylidene-1H,3H-thieno[2,3-d]pyrimidin-4-oneF9995-0135SCHEMBL3233768CHEMBL1462635

Database identifiers

CAS: 117516-97-9
PubChem CID: 3603393
DTXSID: DTXSID90394066
ChEMBL: CHEMBL1462635
EC Number: 855-756-1
Nikkaji: J2.961.036C

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 219

Physicochemical properties

Density: 1.65 · 1.65
storage temp.: Sealed in dry,Room Temperature
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, 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.