AG003LB7

57774-79-5 | 4-Ethoxybenzothioamide

AG003LB7

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CAS Number	57774-79-5
Catalog Number	AG003LB7(AGN-PC-0KGHN1)
Chemical Name	4-Ethoxybenzothioamide
IUPAC Name	4-ethoxybenzenecarbothioamide
InChI	InChI=1S/C9H11NOS/c1-2-11-8-5-3-7(4-6-8)9(10)12/h3-6H,2H2,1H3,(H2,10,12)
InChI Key	AREJPGXIKMXBIQ-UHFFFAOYSA-N
MDL Number	MFCD04629622
Molecular Formula	C9H11NOS
Molecular Weight	181.2547
SMILES	S=C(C1=CC=C(OCC)C=C1)N
Synonyms	4-ethoxybenzenecarbothioamide, 57774-79-5, 4-Ethoxybenzothioamide, 4-ethoxythiobenzamide, 4-ethoxybenzene-1-carbothioamide, MFCD04629622, p-Ethoxythiobenzamide, ACMC-1AWLH, AC1M7JOO, 4-ethoxy-benzenecarbothioamide, AC1Q36B4, SCHEMBL5309757, CTK1H4374, DTXSID40368691, 4-Ethoxythiobenzamide, AldrichCPR, AREJPGXIKMXBIQ-UHFFFAOYSA-N, ZINC3327446, AKOS000218110, MCULE-9247008844, NE12969, QC-1602, NCGC00323162-01, AN-39851, TC-168883, FT-0692473, V1636, EN300-07372, AB01318856-02, 774E795, Z56953071, deslorelin acetate, C9H11NOS, AIDS009547, CID2443179,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.056g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.253g/mol
Monoisotopic Mass	181.056g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number