AG003EIX

10441-57-3 | 1-Methylpyrrolidine-2-thione

AG003EIX

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CAS Number	10441-57-3
Catalog Number	AG003EIX(AGN-PC-0JT5HQ)
Chemical Name	1-Methylpyrrolidine-2-thione
IUPAC Name	1-methylpyrrolidine-2-thione
InChI	InChI=1S/C5H9NS/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChI Key	OQILOJRSIWGQSM-UHFFFAOYSA-N
MDL Number	MFCD00966332
Molecular Formula	C5H9NS
Molecular Weight	115.1967
SMILES	S=C1N(C)CCC1
Synonyms	1-Methylpyrrolidine-2-thione, 10441-57-3, 2-Pyrrolidinethione,1-methyl-, 1-Methyl-2-pyrrolidinethione, AC1LB31C, AC1Q7F1N, ACMC-1C03K, N-methylpyrrolidine-2-thione, SCHEMBL208037, 1-Methyl-2-pyrrolidinethione #, 2-Pyrrolidinethione, 1-methyl-, CTK4A3029, DTXSID00341743, OQILOJRSIWGQSM-UHFFFAOYSA-N, KS-00000L9M, ZINC5343201, ANW-15068, MFCD00966332, AKOS015909118, AK308101, TC-103813, M1748, I14-33535, 1-methyl-pyrrolidine-2-thione, AR-1C4454, CID575447, 104549-49-7,

Complexity	90.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	115.046g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	115.194g/mol
Monoisotopic Mass	115.046g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	35.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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