Cas no 23121-37-1 (Carbamodithioic acid,(4-bromophenyl)-, methyl ester (9CI))
23121-37-1 structure
Product Name:Carbamodithioic acid,(4-bromophenyl)-, methyl ester (9CI)
CAS No:23121-37-1
MF:C8H8BrNS2
MW:262.189818382263
CID:260285
PubChem ID:2802397
Update Time:2025-04-19
Carbamodithioic acid,(4-bromophenyl)-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamodithioic acid,(4-bromophenyl)-, methyl ester (9CI)
- methyl N-(4-bromophenyl)carbamodithioate
- carbamodithioic acid, N-(4-bromophenyl)-, methyl ester
- methyl (4-bromoanilino)methanedithioate
- Methyl (4-bromophenyl)carbamodithioate
- Methyl p-bromodithiocarbanilate
- N-(4-bromophenyl)(methylsulfanyl)carbothioamide
- CARBANILIC ACID, p-BROMODITHIO-, METHYL ESTER
- AKOS016035021
- DTXSID30177693
- CCG-43925
- Maybridge3_000610
- AKOS000269309
- IDI1_011997
- SR-01000633800-1
- HMS1432L16
- PDHYVPIEZSMJRO-UHFFFAOYSA-N
- BRN 2803932
- p-Bromodithiocarbanilic acid methyl ester
- 23121-37-1
-
- Inchi： 1S/C8H8BrNS2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
- InChI Key： PDHYVPIEZSMJRO-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)NC(=S)SC
Computed Properties
- Exact Mass: 260.92824
- Monoisotopic Mass: 260.928153
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 155
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.4
- XLogP3: 3.3
Experimental Properties
- Density: 1.633
- Boiling Point: 324.9°Cat760mmHg
- Flash Point: 150.3°C
- Refractive Index: 1.72
- PSA: 12.03
Carbamodithioic acid,(4-bromophenyl)-, methyl ester (9CI) Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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