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TRIALLYL THIOUREA structure

TRIALLYL THIOUREA

CAS：24507-13-9
MW:196.312
MF：C10H16N2S

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Names and ldentifier
Properties
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: TRIALLYL THIOUREA

1.2 Synonyms: 1,1,3-Triallyl-2-thiourea; 2-Thio-1,1,3-triallylurea; Thiourea, N,N,N'-tri-2-propen-1-yl-; Thiourea, tri-2-propenyl- (9ci); TRIALLYL THIOUREA; Urea, 2-thio-1,1,3-triallyl-;

1.3 CAS No.: 24507-13-9

1.4 CID: 3038280

1.5 Molecular Formula: C10H16N2S

1.6 Inchi: InChI=1S/C10H16N2S/c1-4-7-11-10(13)12(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H,11,13)

1.7 InChkey: ZHEVXOJWYZGAHS-UHFFFAOYSA-N

1.8 Canonical Smiles: C=CCNC(=S)N(CC=C)CC=C

1.9 Isomers Smiles: C=CCNC(=S)N(CC=C)CC=C

2. Properties

2.1 pKa: 14.70±0.70(Predicted)

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

4. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

5. Computed Properties

Molecular Weight：196.312g/mol
Molecular Formula：C₁₀H₁₆N₂S
Compound Is Canonicalized：True
Exact Mass：2.1
XLogP3-AA：196.10341969
Monoisotopic Mass：196.10341969
Complexity：189
Rotatable Bond Count：6
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：47.4
Heavy Atom Count：：13
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceBzAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAQQAAAACADBAAQBAAPAAACEACBCAACAAAAAAAkIAIAIAACAAAAAAQAAAAAIEAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Toltal 5 Suppliers View more

TRIALLYL THIOUREA

Monomer-Polymer & Dajac Laboratories, Inc.

Tel: Update Time:2019/11/25

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TRIALLYL THIOUREA

Pfaltz & Bauer, Inc.

Tel: Update Time:2019/11/25

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TRIALLYL THIOUREA

Pfaltz & Bauer, Inc.

Tel: Update Time:2022/01/01

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Triallylthiourea

Monomer-Polymer & Dajac Labs, Inc

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TRIALLYL THIOUREA

ABCR GmbH & CO. KG

Tel: Update Time:2022/01/01

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7. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles

2. Properties

2.1 pKa

4. NMR Spectrum

5. Computational chemical data

6. Toltal 5 Suppliers

7. Realated Product Infomation

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