Benzoic acid,4-[[(dimethylamino)carbonyl]thio]-

Modify Date: 2025-09-30 12:21:39

Benzoic acid,4-[[(dimethylamino)carbonyl]thio]- Structure
Benzoic acid,4-[[(dimethylamino)carbonyl]thio]- structure
Common Name Benzoic acid,4-[[(dimethylamino)carbonyl]thio]-
CAS Number 13511-91-6 Molecular Weight 225.26400
Density 1.34g/cm3 Boiling Point 388ºC at 760 mmHg
Molecular Formula C10H11NO3S Melting Point N/A
MSDS N/A Flash Point 188.5ºC

 Names

Name 4-(dimethylcarbamoylsulfanyl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.34g/cm3
Boiling Point 388ºC at 760 mmHg
Molecular Formula C10H11NO3S
Molecular Weight 225.26400
Flash Point 188.5ºC
Exact Mass 225.04600
PSA 82.91000
LogP 2.15850
Vapour Pressure 1.03E-06mmHg at 25°C
Index of Refraction 1.619
InChIKey NNHDQYSEKPLLNK-UHFFFAOYSA-N
SMILES CN(C)C(=O)Sc1ccc(C(=O)O)cc1

 Synthetic Route

~90%

Benzoic acid,4-[[(dimethylamino)carbonyl]thio]- Structure

Benzoic acid,4-...

CAS#:13511-91-6

Literature: Chen, Kang-Yi; Gorman, Christopher B. Journal of Organic Chemistry, 1996 , vol. 61, # 26 p. 9229 - 9235

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Benzoic acid,4-[[(dimethylamino)carbonyl]thio]- Structure

Benzoic acid,4-...

CAS#:13511-91-6

Literature: Newman,M.S.; Karnes,H.A. Journal of Organic Chemistry, 1966 , vol. 31, p. 3980 - 3984

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

4-<(dimethylcarbamoyl)thio>benzoic acid
4-[(dimethylcarbamoyl)sulfanyl]benzoic acid
4-<N.N-Dimethyl-carbamoylmercapto>-benzoesaeure
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