AG0036X7

630-22-8 | 2,2-Dimethylpropanethioamide

AG0036X7

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CAS Number	630-22-8
Catalog Number	AG0036X7(AGN-PC-0KO5AB)
Chemical Name	2,2-Dimethylpropanethioamide
IUPAC Name	2,2-dimethylpropanethioamide
InChI	InChI=1S/C5H11NS/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
InChI Key	FJZJUSOFGBXHCV-UHFFFAOYSA-N
MDL Number	MFCD09742834
Molecular Formula	C5H11NS
Molecular Weight	117.2125
NSC Number	381432
SMILES	CC(C(N)=S)(C)C
Synonyms	2,2-dimethylpropanethioamide, 630-22-8, 2,2,2-Trimethylthioacetamide, 2,2-Dimethylthiopropionamide, Neopentanethioamide, Propanethioamide, 2,2-dimethyl-, MFCD09742834, thiopivalamide, AC1MHREN, AC1Q1LRA, 2,2-dimethyl-thiopropionamide, 2,2-dimethylthio propionamide, SCHEMBL1026012, Propanethioamide,2,2-dimethyl-, NIOSH/UE4523000, SCHEMBL12102191, CTK5B7139, DTXSID00388714, 2-Methyl-2-methylthiopropionamide, FJZJUSOFGBXHCV-UHFFFAOYSA-N, KS-00000I8R, ZINC5713489, 9562AB, NSC381432, AKOS000150524, Propionamide, 2-methyl-2-methylthio-, MCULE-3063566984, NE14392, NSC-381432, QC-4600, AJ-54607, AK122453, AS-10697, SC-14578, AB0071343, DB-028038, ST2403574, 4CH-019261, AM20100553, CS-0044786, FT-0698711, UE45230000, EN300-36990, 630D228, Z381061566, C5H11NS, ACN-029523, CID3031130, UE4523000,

Complexity	80.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	117.061g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	117.21g/mol
Monoisotopic Mass	117.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number