AG00C6DS

35563-27-0 | 2-Thioxo-1,2,3,5,6,7-hexahydro-4h-cyclopenta[d]pyrimidin-4-one

AG00C6DS

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CAS Number	35563-27-0
Catalog Number	AG00C6DS(AGN-PC-0JUYDQ)
Chemical Name	2-Thioxo-1,2,3,5,6,7-hexahydro-4h-cyclopenta[d]pyrimidin-4-one
IUPAC Name	2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
InChI	InChI=1S/C7H8N2OS/c10-6-4-2-1-3-5(4)8-7(11)9-6/h1-3H2,(H2,8,9,10,11)
InChI Key	BKZNWILEYOKDSL-UHFFFAOYSA-N
MDL Number	MFCD00223637
Molecular Formula	C7H8N2OS
Molecular Weight	168.2162
NSC Number	24634
SMILES	O=C(N1)C(CCC2)=C2NC1=S
Synonyms	35563-27-0, 2-Mercapto-6,7-dihydro-3H-cyclopentapyrimidin-4(5H)-one, 2-thioxo-1,2,3,5,6,7-hexahydro-4H-cyclopenta[d]pyrimidin-4-one, 2-sulfanyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol, 2-thioxo-2,3,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4(5H)-one, 2-sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol, 2-Sulfanyl-6,7-dihydro-5H-cyclopenta-[d]pyrimidin-4-ol, 2-mercapto-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one, 2-mercapto-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, 2-MERCAPTO-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-OL, NSC24634, AC1LEKKJ, SCHEMBL191381, SCHEMBL18703579, CTK4H4801, CTK8A8380, CTK8E1754, BKZNWILEYOKDSL-UHFFFAOYSA-N, sulfanyldihydrocyclopentadpyrimidinol, CS-M1753, 3196AH, BBL003074, HTS015072, MFCD00223637, NSC-24634, SBB015296, STK409570, STL102648, STL279631, ZINC18145977, AKOS000272679, AKOS001673168, AKOS002325703, AKOS032963859, AN-3023, KD-0735, MCULE-5867206606, QC-7759, RP10436, SDCCGMLS-0065786.P001, KS-00000E89, AJ-70357, ST022319, SY016087, AB0097003, DB-023929, TR-065643, BB 0242501, EU-0078498, FT-0731318, H2659, MFCD02355518 (95%), VU0509043-1, L-4185, AS-871/40438020, SR-01000495511, SR-01000495511-1, SR-01000495511-2, 6-thioxo-2,3,5,7-tetrahydro-5,7-diazainden-4-one, 2-sulfanyl-3H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one, F1609-0569, 2-Thioxo-1,2,3,5,6,7-hexahydro-cyclopentapyrimidin-4-one, 2-thioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one, 3-sulfanylidene-2,4-diazabicyclo[4.3.0]non-10-en-5-one, 1,2,3,5,6,7-hexahydro-2-thioxo-4H-Cyclopentapyrimidin-4-one, 2-Thioxo-1,2,3,5,6,7-hexahydro-cyclopentap yrimidin-4-one, 2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, 2-sulfanyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidin-4-one, 2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one, C7H8N2OS, CID687726, 4H-Cyclopentapyrimidin-4-one, 1,2,3,5,6,7-hexahydro-2-thioxo-, 1137014-87-9,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.036g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.214g/mol
Monoisotopic Mass	168.036g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	73.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number