AG003DX8

105-81-7 | 1-Allyl-3-(2-hydroxyethyl)thiourea

AG003DX8

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CAS Number	105-81-7
Catalog Number	AG003DX8(AGN-PC-0KK6ZG)
Chemical Name	1-Allyl-3-(2-hydroxyethyl)thiourea
EC Number	203-334-7
IUPAC Name	1-(2-hydroxyethyl)-3-prop-2-enylthiourea
InChI	InChI=1S/C6H12N2OS/c1-2-3-7-6(10)8-4-5-9/h2,9H,1,3-5H2,(H2,7,8,10)
InChI Key	VUVPNTYTOUGMDG-UHFFFAOYSA-N
MDL Number	MFCD00002838
Molecular Formula	C6H12N2OS
Molecular Weight	160.2373
NSC Number	70444
SMILES	S=C(NCCO)NCC=C
Synonyms	105-81-7, 1-Allyl-3-(2-hydroxyethyl)-2-thiourea, 1-Allyl-3-(2-hydroxyethyl)thiourea, Thiourea, N-(2-hydroxyethyl)-N'-2-propenyl-, N-Allyl-N'-(2-hydroxyethyl)thiourea, N-(2-Hydroxyethyl)-N'-allylthiourea, N-(2-Hydroxyethyl)-N'-2-propenylthiourea, n-allyl-n'-2-hydroxyethylthiourea, Urea, 1-allyl-3-(2-hydroxyethyl)-2-thio-, EINECS 203-334-7, NSC 70444, 1-Allyl-3-(2-hydroxyethyl) thiourea, BRN 1766401, N-Allyl-N'-(beta-hydroxyethyl)thiourea, 1-(2-hydroxyethyl)-3-prop-2-enylthiourea, AI3-51115, MLS000736772, Thiourea, N-(2-hydroxyethyl)-N'-2-propen-1-yl-, MFCD00002838, 1-alyl-3-(2-hydroxyethyl)-2-thiourea, N-Allyl-N'-(beta-hydroxyethyl) thiourea, J-504171, 2-{[(prop-2-enylamino)thioxomethyl]amino}ethan-1-ol, NSC70444, Maybridge1_007075, ACMC-2098hu, AC1MC2Y1, 3-04-00-00711 (Beilstein Handbook Reference), SCHEMBL176403, AC1Q7D42, Jsp000543, CHEMBL1610103, DTXSID0059324, CTK0H6008, HMS561J13, VUVPNTYTOUGMDG-UHFFFAOYSA-N, HMS2884P03, n-allyl-n'(b-hydroxyethyl)thiourea, KS-000016KX, ZX-AT011379, 1-(2-Hydroxyethyl)-3-allylthiourea, 8259AC, 8260AC, ANW-15280, FCH916429, NSC-70444, SBB066543, ZINC13597232, AKOS003267023, n-allyl-n'-(2-hydroxyethyl) thiourea, MCULE-9220125292, RP22364, RTR-001200, 3-(2-Hydroxyethyl)-1-allyl-2-thiourea, NCGC00246865-01, 1-allyl-3-(2-hydroxyethyl)-2-thio-ure, AN-22393, CC-03915, N-allyl-N'-(2-hydroxyethyl)thiocarbamide, SC-44858, SMR000528319, 1-Allyl-3-.beta.-hydroxyethyl-2-thiourea, N-Allyl-N'-(.beta.-hydroxyethyl)thiourea, LS-158788, N-Allyl-N'-(.beta.-hydroxyethyl) thiourea, TL8006932, TR-001200, 1-(2-hydroxyethyl)-3-prop-2-enyl-thiourea, A0230, FT-0655705, ST45023968, N-(2-Hydroxyethyl)-N'-2-propen-1-ylthiourea, 1-(2-hydroxyethyl)-3-(prop-2-en-1-yl)thiourea, 3-(2-hydroxyethyl)-1-(prop-2-en-1-yl)thiourea, A801325, C-33642, Thiourea, N-(2-hydroxyethyl)-N\\'-2-propenyl-, Thiourea,N-(2-hydroxyethyl)-N'-2-propen-1-yl-, I09-0997, 2-{[(prop-2-en-1-yl)thio(carbonoimidyl)]amino}ethan-1-ol, n-(2-hydroxyethyl)-n inverted exclamation mark -2-propenyl, n-(2-hydroxyethyl)-n inverted exclamation mark -2-propenyl-thioure, n-(2-hydroxyethyl)-n inverted exclamation mark -2-propenyl-thiourea, n-(2-hydroxyethyl)-n inverted exclamation mark -2-propenylthiourea, C6H12N2OS, C12H20ClNO, N-Ally-N?-2-hydroxyethylthiourea, C6-H12-N2-O-S, CID2735273, 1-allyl-3-(2-hydroxyethyl)thiourinstof, N-(Hydroxy-2 thyl) N'-propnyl-2 thioure, N-(2-hydroxyethyl)-N'-2-propen-1-yl-Thiourea, 2-Chloro-N-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-acetamide, 105838-50-4,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.067g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	160.235g/mol
Monoisotopic Mass	160.067g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	76.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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