AG003S13

27079-29-4 | Methyl [(2-aminophenyl)carbamothioyl]carbamate

AG003S13

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CAS Number	27079-29-4
Catalog Number	AG003S13(AGN-PC-0KO6AP)
Chemical Name	Methyl [(2-aminophenyl)carbamothioyl]carbamate
IUPAC Name	methyl N-[(2-aminophenyl)carbamothioyl]carbamate
InChI	InChI=1S/C9H11N3O2S/c1-14-9(13)12-8(15)11-7-5-3-2-4-6(7)10/h2-5H,10H2,1H3,(H2,11,12,13,15)
InChI Key	YTGVAKDRFRGYAM-UHFFFAOYSA-N
MDL Number	MFCD01674471
Molecular Formula	C9H11N3O2S
Molecular Weight	225.2675
SMILES	O=C(OC)NC(NC1=CC=CC=C1N)=S
UNII	0871K2HV9N
Synonyms	27079-29-4, Thiophamine, Methyl [(2-aminophenyl)carbamothioyl]carbamate, 2-(3-methoxycarbonylthioureido)aniline, NF 48, UNII-0871K2HV9N, Methyl 4-(o-aminophenyl)-3-thioallophanate, 2-(3-Carbomethoxythioureido)aniline, BRN 0658056, 2-(3-(Methoxycarbonyl)thioureido)aniline, N-(3-Methoxycarbonyl-2-thioureido)aniline, 2-Amino((methoxycarbonyl)thioureido)benzene, 0871K2HV9N, ALLOPHANIC ACID, 4-(o-AMINOPHENYL)-3-THIO-, METHYL ESTER, Carbamic acid, (((2-aminophenyl)amino)thioxomethyl)-, methyl ester, Carbamic acid, [[(2-aminophenyl)amino]thioxomethyl]-, methyl ester, methyl N-[(2-aminophenyl)carbamothioyl]carbamate, AC1MHUSK, SCHEMBL10905206, CTK4F9059, DTXSID10181551, YTGVAKDRFRGYAM-UHFFFAOYSA-N, NF-48, ZINC2012773, MFCD01674471, AKOS026674217, DS-9976, KS-0000008D, 2-(3-methoxycarbonyl-thioureido)-aniline, AK199090, LS-16357, Methyl 4-(o-aminophenyl)-3thioallophanate, 1-methoxycarbonyl-3-(2-aminophenyl)thiourea, CS-0061887, 1-methoxycarbonyl-3-(2-aminophenyl)-thiourea, 1-(2-aminophenyl)-3-methoxycarbonyl-2-thiourea, methyl N ?[aminophenyl)carbamothioyl)carbamate, Carbamic acid,N-[[(2-aminophenyl)amino]thioxomethyl]-, methyl ester, 2- aniline, C9-H11-N3-O2-S, CID3032830,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.057g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	225.266g/mol
Monoisotopic Mass	225.057g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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