3-(biphenyl-4-yl)-4-chloro-3-hydroxybutanethioic S-acid(CAS No. 71023-01-3) CAS NO.71023-01-3

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Product Details

Keywords

4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic acid
71023-01-3
98%

Quick Details

ProName: 3-(biphenyl-4-yl)-4-chloro-3-hydroxybu...
CasNo: 71023-01-3
Molecular Formula: C16H15ClO2S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【Name】
3-(biphenyl-4-yl)-4-chloro-3-hydroxybutanethioic S-acid
【Iupac name】
4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid
【CAS Registry number】
71023-01-3
【Synonyms】
NSC309113
AC1L73GE
NSC-309113
4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid
71023-01-3
【Molecular Formula】
C16H15ClO2S (Products with the same molecular formula)
【Molecular Weight】
306.8071
【Inchi】
InChI=1/C16H15ClO2S/c17-11-16(19,10-15(18)20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H,18,20)
【Canonical SMILES】
C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)S)(CCl)O
【MOL File】
71023-01-3.mol
Chemical and Physical Properties
【Density】
1.27g/cm3
【Boiling Point】
490.6°C at 760 mmHg
【Refractive Index】
1.608
【Flash Point】
250.5°C
【Computed Properties】
Molecular Weight:306.8071 [g/mol]
Molecular Formula:C16H15ClO2S
XLogP3-AA:3.1
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:5
Tautomer Count:2
Exact Mass:306.048128
MonoIsotopic Mass:306.048128
Topological Polar Surface Area:38.3
Heavy Atom Count:20
Formal Charge:0
Complexity:322
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:28

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