AG00EDSA

621-40-9 | 1-(3-Methylphenyl)-2-thiourea

AG00EDSA

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CAS Number	621-40-9
Catalog Number	AG00EDSA(AGN-PC-0D6MFO)
Chemical Name	1-(3-Methylphenyl)-2-thiourea
EC Number	210-686-5
IUPAC Name	(3-methylphenyl)thiourea
InChI	InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChI Key	JODPVHLKQIOIIW-UHFFFAOYSA-N
MDL Number	MFCD00060451
Molecular Formula	C8H10N2S
Molecular Weight	166.2434
NSC Number	635574
SMILES	CC1=CC(NC(N)=S)=CC=C1
Synonyms	621-40-9, 1-(3-methylphenyl)-2-thiourea, (3-Methylphenyl)thiourea, m-Tolylthiourea, 1-(m-Tolyl)thiourea, N-(3-Methylphenyl)thiourea, m-tolyl-thiourea, 3-Tolylthiourea, 1-m-tolylthiourea, 1-m-Tolyl thiourea, m-Tolyl-2-thiourea, 1-(m-Methylphenyl)thiourea, 1-(3-methylphenyl)thiourea, Urea, 2-thio-1-m-tolyl-, 3-methylphenylthiourea, EINECS 210-686-5, Thiourea, (3-methylphenyl)- (9CI), Thiourea,N-(3-methylphenyl)-, CHEMBL1088657, Amino[(3-methylphenyl)amino]methane-1-thione, Thiourea, (3-methylphenyl)-, m-Tolylthioharnstoff, NSC635574, AC1LDUPS, AC1Q7EJC, (3-methylphenyl)-thioure, AC1Q2J3V, MLS000577426, SCHEMBL1886408, SCHEMBL14432349, CTK5B4404, KS-00003HMZ, DTXSID60211150, JODPVHLKQIOIIW-UHFFFAOYSA-N, HMS1581H10, HMS2489O22, ZINC8577652, BBL023549, BDBM50356166, HTS001882, MFCD00060451, SBB017678, STK108312, AKOS000113507, BS-3908, MCULE-6069853101, NSC-635574, VZ20908, NCGC00245757-01, NCI60_011886, SC-64650, SMR000186055, AB1008145, DB-018526, LS-160742, TR-021362, FT-0632601, ST50076852, T8048, EN300-06173, A818973, A833606, I09-2596, C8H10N2S, C8-H10-N2-S, AR-1J6919, CID701727, 2724-69-8, 626-40-4, m-Tolyl-thiourea; n-(3-Methylphenyl)thiourea; (3-Methylphenyl)-thioure; (3-Methylphenyl)thiourea; 1-(m-Methylphenyl)thiourea; 1-m-Tolylthiourea; 2-Thio-1-m-tolyl-ure; 3-Tolylthiourea; m-Tolyl-2-thiourea,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.056g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.242g/mol
Monoisotopic Mass	166.056g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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