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1189357-51-4 molecular structure
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(9H-fluoren-9-yl)methyl N-[3-(chlorosulfonyl)propyl]carbamate

ChemBase ID: 814270
Molecular Formular: C18H18ClNO4S
Molecular Mass: 379.85782
Monoisotopic Mass: 379.06450674
SMILES and InChIs

SMILES:
N(C(=O)OCC1c2ccccc2c2ccccc12)CCCS(=O)(=O)Cl
Canonical SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCCCS(=O)(=O)Cl
InChI:
InChI=1S/C18H18ClNO4S/c19-25(22,23)11-5-10-20-18(21)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,20,21)
InChIKey:
AJELACOSNDJTOR-UHFFFAOYSA-N

Cite this record

CBID:814270 http://www.chembase.cn/molecule-814270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(9H-fluoren-9-yl)methyl N-[3-(chlorosulfonyl)propyl]carbamate
IUPAC Traditional name
9H-fluoren-9-ylmethyl N-[3-(chlorosulfonyl)propyl]carbamate
Synonyms
(9H-fluoren-9-yl)methyl 3-(chlorosulfonyl)propylcarbamate
CAS Number
1189357-51-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36429 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36429 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.634729  H Acceptors
H Donor LogD (pH = 5.5) 2.8442163 
LogD (pH = 7.4) 2.8442163  Log P 2.8442163 
Molar Refractivity 97.122 cm3 Polarizability 39.548706 Å3
Polar Surface Area 72.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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