AG003DJK

1212-29-9 | 1,3-Dicyclohexylthiourea

AG003DJK

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CAS Number	1212-29-9
Catalog Number	AG003DJK(AGN-PC-0JVJ5W)
Chemical Name	1,3-Dicyclohexylthiourea
EC Number	214-920-7
IUPAC Name	1,3-dicyclohexylthiourea
InChI	InChI=1S/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
InChI Key	KAJICSGLHKRDLN-UHFFFAOYSA-N
MDL Number	MFCD00021316
Molecular Formula	C13H24N2S
Molecular Weight	240.4081
NSC Number	33443
SMILES	S=C(NC1CCCCC1)NC2CCCCC2
UN Number	2811
UNII	854CTM0T34
Synonyms	N,N'-dicyclohexylthiourea, 1,3-Dicyclohexylthiourea, 1212-29-9, N,N'-DICYCLOHEXYLTHIOUREA, Thiourea, N,N'-dicyclohexyl-, 1,3-Dicyclohexyl-2-thiourea, sym-Dicyclohexylthiourea, 1,3-Bis(cyclohexyl)thiourea, Dicyclohexyl thiourea, Sym-dicyclohexythiourea, NCI-C04524, N,N'-Dicyclohexylthiocarbamide, N,N'-Dicyclohexyl-2-thiourea, Dicyclohexylthiourea, Urea, 1,3-dicyclohexyl-2-thio-, 1,3-(Dicyclohexyl)thiourea, NSC 33443, CCRIS 232, UNII-854CTM0T34, HSDB 4150, EINECS 214-920-7, 1,3-dicyclohexyl-thiourea, BRN 0517587, KAJICSGLHKRDLN-UHFFFAOYSA-N, 854CTM0T34, bis(cyclohexylamino)methane-1-thione, MFCD00021316, DSSTox_CID_451, DSSTox_RID_75600, DSSTox_GSID_20451, CAS-1212-29-9, C13H24N2S, ACMC-20aj4r, AC1Q7EKO, AC1Q7EKT, N,N;-Dicyclohexylthiourea, Thiourea,N'-dicyclohexyl-, N,N'-dicyclohexyl-thiourea, AC1LDY47, Oprea1_850375, Thiourea,N,N'-dicyclohexyl-, 3-12-00-00049 (Beilstein Handbook Reference), SCHEMBL491492, Urea,3-dicyclohexyl-2-thio-, 1,3-bis(cyclohexyl)-thiourea, 1,3-dicyclohexyl-2-thio-ure, CHEMBL1606127, DTXSID9020451, CTK4B2252, KAJICSGLHKRDLN-UHFFFAOYSA-, ZINC136162, NSC33443, WLN: L6TJ AMYUS&M- AL6TJ, Tox21_201806, Tox21_302838, LS-660, NSC-33443, STK320995, AKOS002213801, MCULE-5971080540, NCGC00090801-01, NCGC00090801-02, NCGC00256322-01, NCGC00259355-01, AN-48903, SC-62252, ST029292, ZB004808, AB1009578, TC-164466, D0440, FT-0629385, KS-00001716, AN-689/40172661, I09-2997, F0881-0002, n,n inverted exclamation mark -dicyclohexylthiocarbamide, 2-Butyl-3-[[2 inverted exclamation marka-(2H-tetrazol-5-yl)[1,1 inverted exclamation marka-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one; Avapro; BMS-186295; SR-47436, InChI=1/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16), N,N-Dicyclohexylthiourea, N,N/'-Dicyclohexylthiourea, KST-1B2979, AR-1B6887, C13-H24-N2-S, CID727200, 31368-54-4,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.166g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	240.409g/mol
Monoisotopic Mass	240.166g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code	\N

Certificate of Analysis

Lot Number