2-Thiocytosine

ALDRICH/233625 - 97%

Synonym: 4-Amino-2-mercaptopyrimidine; 4-Amino-2-thiopyrimidine

CAS Number: 333-49-3
Empirical Formula (Hill Notation): C₄H₅N₃S
Molecular Weight: 127.17
EC Number: 206-374-3
MDL Number: MFCD00057341
Linear Formula: C₄H₅N₃S
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-233625-1G	1 g	$85.40 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
InChI	1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChI key	DCPSTSVLRXOYGS-UHFFFAOYSA-N
mp	285-290 °C (dec.) (lit.)
Quality Level	100
SMILES string	NC1=NC(=S)NC=C1

Application:	2-Thiocytosine has been used to investigate the reactions involved in hole transfer (HT) in X-irradiated doped cytosine monohydrate.
General description:	2-Thiocytosine is a potential antileukemic and anticancer agent. 2-Thiocytosine in solid state has been investigated by (1)H-(14)N NMR-NQR double resonance (NQDR) spectroscopy and theoretically by the quantum theory of atoms in molecules (QTAIM)/density functional theory (DFT).
Packaging:	1 g in glass bottle

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	97%
mp	285-290 °C (dec.) (lit.)
UNSPSC	12352100

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