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Basic information
- CAS
54660-92-3- Standard SMILES
Nc1c(S)ncnc1S- InChIKey
GAOXXCQGXVGDDU-UHFFFAOYSA-N- Molecular formula
- C4H5N3S2
- Average molar mass
- 159.2 g/mol
- Monoisotopic mass
- 158.99248952
Names & identifiers
- Preferred name
- 5-Aminopyrimidine-4,6-dithiol
- IUPAC
- 5-amino-4-sulfanyl-1H-pyrimidine-6-thione
- English name
- 5-aMino-6-MercaptopyriMidine-4(1H)-thione
- Molecular formula
- C4H5N3S2
- Molecular weight
- 159.23
Names & synonyms
5-aminopyrimidine-4,6-dithiolRefChem:532464974-197-554660-92-35-Amino-6-sulfanylpyrimidine-4(3H)-thione5-amino-4-sulfanyl-1H-pyrimidine-6-thione5-aMino-6-MercaptopyriMidine-4(1H)-thione5-Aminopyrimidin-4,6-dithiolSCHEMBL4796315DTXSID60601870GAOXXCQGXVGDDU-UHFFFAOYSA-NECA66092
Show more names
4(3H)-Pyrimidinethione, 5-amino-6-mercapto-
AKOS0051668365-Amino-6-mercaptopyrimidine-4(3H)-thioneCS-0257619EN300-6744121Z1251357257
Database identifiers
- CAS
54660-92-3- PubChem CID
- 20035926
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 206
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers1 total
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
2 records
Compound notes
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