AG003DJM

105-55-5 | 1,3-Diethylthiourea

AG003DJM

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CAS Number	105-55-5
Catalog Number	AG003DJM(AGN-PC-0KK6UX)
Chemical Name	1,3-Diethylthiourea
EC Number	203-308-5
IUPAC Name	1,3-diethylthiourea
InChI	InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChI Key	FLVIGYVXZHLUHP-UHFFFAOYSA-N
MDL Number	MFCD00004925
Molecular Formula	C5H12N2S
Molecular Weight	132.2272
NSC Number	3507
RTECS Number	YS9800000
SMILES	S=C(NCC)NCC
UNII	J2RDK7O9MZ
Synonyms	diethylthiourea, 1,3-Diethyl-2-thiourea, N,N'-DIETHYLTHIOUREA, 105-55-5, 1,3-Diethylthiourea, Pennzone E, Thiourea, N,N'-diethyl-, Thiate H, N,N'-Diethylthiocarbamide, Urea, 1,3-diethyl-2-thio-, USAF EK-1803, N,N-Diethyl-2-thiourea, NCI-C03816, Diethylthiourea, UNII-J2RDK7O9MZ, U 15030, NSC 3507, CCRIS 243, HSDB 4106, EINECS 203-308-5, MFCD00004925, J2RDK7O9MZ, BRN 0773905, N,N'-Diethylthiourea (sym), AI3-14636, CHEBI:82448, FLVIGYVXZHLUHP-UHFFFAOYSA-N, DSSTox_CID_466, DSSTox_RID_75609, DSSTox_GSID_20466, CAS-105-55-5, Diethyl-2-thiourea, DETU, Thiourea,N'-diethyl-, 1,3-diethyl-thiourea, 1,3-diethylthio urea, N,N\'-Diethylthiourea, ACMC-1BPSX, AC1MC2EW, 1,3-diethylthiourea[qr], Diethylthiourea (Related), 1,3-diethyl-2-thiouree, Urea,3-diethyl-2-thio-, N,N'-Diethyl-2-thiourea, 1,3-diethyl-2-thio-ure, EC 203-308-5, SCHEMBL80644, KSC174M1N, MLS002415751, N,N'-Diethylthiourea, 98%, WLN: SUYM1 & M1, 1,3-diethyl-2-thiourea[qr], Diethyl-2-thiourea (Related), CHEMBL1611590, DTXSID8020466, SCHEMBL11837352, CTK0H4616, NSC3507, HMS3073I07, KS-00000W4I, NSC-3507, ZINC3875742, Tox21_201476, Tox21_302956, ANW-15242, STK370054, AKOS000119994, MCULE-8237270311, NCGC00090911-01, NCGC00090911-02, NCGC00256443-01, NCGC00259027-01, R528, SMR001252205, AB1009575, RT-002122, D0530, FT-0629489, n,n inverted exclamation mark -diethyl-thioure, n,n inverted exclamation mark -diethylthiouree, C19400, J-001446, I14-13844, F1995-0261, n,n inverted exclamation mark -diethylthiocarbamide[qr], InChI=1/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8, null, Diethyl thiourea, N,N-diethylthiourea, N,N/'-Diethylthiourea, Diethylthiourea, n,n'-, C5H12N2S, 1,3-diethyl-2-thiourinstof, C5-H12-N2-S, LS-387, CID2735009, 4-04-00-00375 (Beilstein Handbook Reference), N,N'-Diethylthiourea, 98% - 100G 100g,

Complexity	64.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.072g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	132.225g/mol
Monoisotopic Mass	132.072g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302+H312-H317-H318-H372-H412
Packing Group	Ⅲ
Precautionary statements	P260-P280-P301+P312+P330-P305+P351+P338+P310
UN Code	UN 1759

Certificate of Analysis

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