AG003285

2986-17-6 | 1,3-Diisopropylthiourea

AG003285

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CAS Number	2986-17-6
Catalog Number	AG003285(AGN-PC-0KKMGY)
Chemical Name	1,3-Diisopropylthiourea
EC Number	221-051-7
IUPAC Name	1,3-di(propan-2-yl)thiourea
InChI	InChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
InChI Key	KREOCUNMMFZOOS-UHFFFAOYSA-N
MDL Number	MFCD00040485
Molecular Formula	C7H16N2S
Molecular Weight	160.2803
NSC Number	8694
SMILES	C(C)(C)NC(=S)NC(C)C
Synonyms	diisopropylthiourea, 1,3-Diisopropylthiourea, 2986-17-6, N,N'-Diisopropylthiourea, 1,3-Diisopropyl-2-thiourea, Diisopropylthiourea, Thiourea, N,N'-bis(1-methylethyl)-, Diisopropyl thiourea, 1,3-di(propan-2-yl)thiourea, UREA, 1,3-DIISOPROPYL-2-THIO-, sym-Diisopropylthiourea, N,N'-Bis(1-methylethyl)thiourea, N,N'-Diisopropylthiorea, NSC 8694, EINECS 221-051-7, BRN 0605861, AI3-08622, 1,3-bis(propan-2-yl)thiourea, KREOCUNMMFZOOS-UHFFFAOYSA-N, MFCD00040485, NSC8694, AC1MBY1F, 1,3-diisopropyl thiourea, 1,3-diisopropyl-thiourea, ACMC-1CS6Z, Urea,3-diisopropyl-2-thio-, 4-04-00-00526 (Beilstein Handbook Reference), SCHEMBL437705, Jsp005645, DTXSID1062756, SCHEMBL11847908, KS-00000WTT, Thiourea,N'-bis(1-methylethyl)-, WLN: 1Y1&MYUS&MY1&1, ZINC404368, BCP21777, NSC-8694, 1,3-Diisopropyl-2-thiourea, 99%, 7813AF, ANW-26714, Thiourea,N,N'-bis(1-methylethyl)-, AKOS003718464, MCULE-4846755412, N,N'-DIISOPROPYLTHIOUREA, PRACT, bis[(methylethyl)amino]methane-1-thione, AK307156, SY050583, ZB013509, AB1009576, LS-159881, TC-115459, D0253, FT-0629493, ST51041891, MFCD00040485 (98%), A820078, J-017671, F0001-0922, InChI=1/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10, null, Alkylenediamine der., C7H16N2S, C7-H16-N2-S, CID2758386, 1,3-Diisopropyl-2-thiourea, 98% - 100G 100g,

Complexity	98.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.103g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.279g/mol
Monoisotopic Mass	160.103g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.2A^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
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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