2-Mercaptopyrimidine
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2-Mercaptopyrimidine
structure -
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CAS No:
1450-85-7
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Formula:
C4H4N2S
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Chemical Name:
2-Mercaptopyrimidine
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Synonyms:
2(1H)-Pyrimidinethione;2-Pyrimidinethiol;2-Mercaptopyrimidine;2-Thiopyrimidine;2-Pyrimidinethione;1H-Pyrimidine-2-thione;2-Sulfanylpyrimidine;NSC 193522;NSC 321197;NSC 321198;NSC 48073;1,2-Dihydropyrimidine-2-thione;107646-94-6;19351-11-2;847778-89-6
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CAS No:
Description
YELLOW POWDERChEBI: Pyrimidine substituted at C-2 by a sulfanyl group.
Pyrimidine-2-thiol is pyrimidine substituted at C-2 by a sulfanyl group. It has a role as a corrosion inhibitor and an allergen. It is a member of pyrimidines and an aryl thiol.
Characteristics
56.5
-1.1
white to light yellow crystalline powder
1.273 (estimate)
230 °C (decomp)
191.3±23.0 °C(Predicted)
95.4±22.6 °C
1.5500 (estimate)
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.519mmHg at 25°C
Safety Information
UN 3335
3
R36/37/38
22-24/25-36/37
Xn
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:112.16
XLogP3:-1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:112.00951931
Monoisotopic Mass:112.00951931
Topological Polar Surface Area:56.5
Heavy Atom Count:7
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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