N,N'-Diphenylthiourea - CAS 102-08-9
Catalog: |
BB000773 |
Product Name: |
N,N'-Diphenylthiourea |
CAS: |
102-08-9 |
Synonyms: |
1,3-diphenylthiourea |
IUPAC Name: | 1,3-diphenylthiourea |
Description: | N,N'-Diphenylthiourea (CAS# 102-08-9) is a useful synthetic intermediate and is used as a starting material to synthesize corresponding derivatives that have therapeutic potential to treat leprosy. |
Molecular Weight: | 228.31 |
Molecular Formula: | C13H12N2S |
Canonical SMILES: | C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 |
InChI: | InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) |
InChI Key: | FCSHMCFRCYZTRQ-UHFFFAOYSA-N |
Boiling Point: | 50 °C |
Melting Point: | 309 °F |
Density: | 1.32 g/cm3 |
Appearance: | Crystalline leaflets |
Storage: | Inert atmosphere, Room Temperature |
Decomposition: | When heated to decomp, It emits highly toxic fumes of so(x) |
MDL: | MFCD00004921 |
LogP: | 3.64150 |
Vapor Pressure: | 0.00000594 [mmHg] |
GHS Hazard Statement: | H300 (30.94%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P260, P261, P264, P270, P272, P273, P280, P281, P301+P310, P302+P352, P308+P313, P314, P321, P330, P333+P313, P363, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113462026-A | Composite calcium-zinc heat stabilizer composition and preparation method and application thereof | 20210731 |
CN-113372294-A | Novel purification process of rubber vulcanization accelerator M | 20210707 |
KR-102306285-B1 | Air cleaner | 20210702 |
CN-113426391-A | Equipment and method for continuously producing diphenylthiourea | 20210629 |
CN-113355150-A | Microemulsion cutting fluid and preparation method and application thereof | 20210624 |
PMID | Publication Date | Title | Journal |
21978680 | 20111115 | Structural requirement of phenylthiourea analogs for their inhibitory activity of melanogenesis and tyrosinase | Bioorganic & medicinal chemistry letters |
22219924 | 20111101 | 1,3-Bis(2-meth-oxy-phen-yl)thio-urea | Acta crystallographica. Section E, Structure reports online |
19834646 | 20110201 | Characterization of the cell growth inhibitory effects of a novel DNA-intercalating bipyridyl-thiourea-Pt(II) complex in cisplatin-sensitive and -resistant human ovarian cancer cells | Investigational new drugs |
21073181 | 20110114 | Diphenylthiourea, a common rubber chemical, is bioactivated to potent skin sensitizers | Chemical research in toxicology |
21522765 | 20101208 | N,N'-Diphenyl-thio-urea acetone monosolvate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.07211956 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.07211956 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Sulfur Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS