AG00D8R8

Name: Cheirolin
Brand: Angene Chemical
SKU: AG00D8R8

505-34-0 | Cheirolin

AG00D8R8

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CAS Number	505-34-0
Catalog Number	AG00D8R8(AGN-PC-0JK9K8)
Chemical Name	Cheirolin
IUPAC Name	1-isothiocyanato-3-methylsulfonylpropane
InChI	InChI=1S/C5H9NO2S2/c1-10(7,8)4-2-3-6-5-9/h2-4H2,1H3
InChI Key	ZSJGCHNCYSHQEU-UHFFFAOYSA-N
MDL Number	MFCD01311719
Molecular Formula	C5H9NO2S2
Molecular Weight	179.2605
SMILES	CS(=O)(=O)CCCN=C=S
UNII	8DA547512J
Synonyms	cheirolin, Cheirolin, 505-34-0, Cheiroline, 3-(Methylsulphonyl)propylisothiocyanate, Methylpropylsulfone mustard oil, UNII-8DA547512J, 1-Isothiocyanato-3-(methylsulfonyl)propane, 1-isothiocyanato-3-methylsulfonylpropane, BRN 1768925, 8DA547512J, 1-isothiocyanato-3-methanesulfonylpropane, ISOTHIOCYANIC ACID, 3-(METHYLSULFONYL)PROPYL ESTER, AC1L1V8E, 4-04-00-01664 (Beilstein Handbook Reference), SCHEMBL1688838, DTXSID00198517, 3-Methylsulfonylpropyl-isothiocyanat, ZINC2040415, AKOS011080243, VZ26102, 1-isothiocyanato-3-methylsulfonyl-propane, CJ-32374, LS-86431, DB-021726, FT-0632245, Propane,1-isothiocyanato-3-(methylsulfonyl)-, Propane, 1-isothiocyanato-3-(methylsulfonyl)-, A828157, Propane, 1-isothiocyanato-3-(methylsulfonyl)- (9CI), C5H9NO2S2, C5-H9-N-O2-S2, CID10454,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.007g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.252g/mol
Monoisotopic Mass	179.007g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited