AG002M1A

23051-16-3 | Benzoic acid, 4-[(aminothioxomethyl)amino]-, ethyl ester

AG002M1A

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	23051-16-3
Catalog Number	AG002M1A(AGN-PC-0KLGNT)
Chemical Name	Benzoic acid, 4-[(aminothioxomethyl)amino]-, ethyl ester
IUPAC Name	ethyl 4-(carbamothioylamino)benzoate
InChI	InChI=1S/C10H12N2O2S/c1-2-14-9(13)7-3-5-8(6-4-7)12-10(11)15/h3-6H,2H2,1H3,(H3,11,12,15)
InChI Key	ZJGHEUYKWKTKCH-UHFFFAOYSA-N
MDL Number	MFCD00060458
Molecular Formula	C10H12N2O2S
Molecular Weight	224.2795
NSC Number	254684
SMILES	C(=O)(C1=CC=C(NC(=S)N)C=C1)OCC
Synonyms	Ethyl 4-thioureidobenzoate, 23051-16-3, 1-(4-Ethoxycarbonylphenyl)-2-thiourea, ethyl 4-(carbamothioylamino)benzoate, Ethyl 4-[(aminothioxomethyl)amino]benzoate, Benzoic acid, 4-[(aminothioxomethyl)amino]-, ethyl ester, AC1MDBUN, Maybridge1_003725, KSC550O6F, SCHEMBL1615839, CTK4F0762, HMS552B07, KS-00000ZTD, DTXSID50384589, ZJGHEUYKWKTKCH-UHFFFAOYSA-N, ZINC5836509, 1486AB, MFCD00060458, NSC254684, AKOS000369704, CCG-240345, MCULE-3587378779, NSC-254684, ACM23051163, 1-(4-Ethoxy carbonylphenyl)-2-thiourea, AJ-54988, CJ-12760, GK 03261, AX8051065, DB-018574, TR-010772, FT-0682087, ST51041897, 4-(carbamothioylamino)benzoic acid ethyl ester, A816526, C-44854, 1-(4-ethoxycarbonylphenyl)-2-thiourea, AldrichCPR, I09-2410, Benzoic acid,4-[(aminothioxomethyl)amino]-, ethyl ester, Benzoic acid,4-[(aminothioxomethyl)amino]-,ethyl ester, Ethyl4-thioureidobenzoate, 1- -2-THIOUREA, C10H12N2O2S, CID2808848,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.062g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	224.278g/mol
Monoisotopic Mass	224.062g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	96.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number