O,O-Dipyridin-2-yl carbonothioate

HCID 719784CAS 96989-50-3
Substructure searchFind similar structures

Basic information

Standard SMILES
S=C(Oc1ccccn1)Oc1ccccn1
InChIKey
IKYOVSVBLHGFMA-UHFFFAOYSA-N
Molecular formula
C11H8N2O2S
Average molar mass
232.26 g/mol
Monoisotopic mass
232.0306485

Names & identifiers

Preferred name
O,O-Dipyridin-2-yl carbonothioate
IUPAC
dipyridin-2-yloxymethanethione
English name
DI-2-PYRIDYL THIONOCARBONATE
Molecular formula
C11H8N2O2S
Molecular weight
232.26

Names & synonyms

o,o-dipyridin-2-yl carbonothioateDTXSID10352128RefChem:1093515DTXCID5030319496989-50-3Di-2-Pyridyl ThionocarbonateO,O-di(pyridin-2-yl) carbonothioateDi(2-pyridyl) thionocarbonatedipyridin-2-yloxymethanethioneBIS(PYRIDIN-2-YLOXY)METHANETHIONEMFCD00074870di(2-pyridyloxy)methane-1-thione
Show more names
Bispyridylthiocarbonate2-pyridyl thionocarbonate,97%Di-pyridin-2-yl thionocarbonateDi-2-pyridylthionocarbonate,98%O,O'-Di-2-pyridyl ThiocarbonateDi-2-pyridyl thionocarbonate,97%
Carbonothioic acid, O,O-di-2-pyridinyl esterbis(2-pyridyloxy)methanethioneO,O-dipyridin-2-yl thiocarbonatethiocarbonic acid O,O-bis(2-pyridyl) esterdi-2-pyridyl thiocarbonatedi (2-pyridyl)thiocarbonateSCHEMBL435144SCHEMBL31734268

Database identifiers

CAS
96989-50-3
PubChem CID
719784
DTXSID
DTXSID10352128
EC Number
628-173-3
Nikkaji
J987.935H

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
76.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
16

Physicochemical properties

Melting point
94 · 94-98 °C(lit.)
Boiling point
359 ℃ · 359℃
Density
1.34 · 1.340
Flash point
171 ℃ · 171℃
storage temp.
-20 °C · -20°C
form
Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 4 items

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
4.4-10-21
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29333990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

UsesDi-2-pyridyl thionocarbonate is used in the synthesis of 10-des(carbamoyloxy)-10-isothiocyanatoporfiromycin. It is also used as a substitute of thiophosgene, in the preparation of isothiocyanate.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

69 records
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Linked notes

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