2-Morpholinoethyl isothiocyanate

CAT: 0926-NCA22435Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-NCA22435Size:10 g

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CAS Number

63224-35-1

Smiles

C1COCCN1CCN=C=S

Molecular Formula

C7H12N2OS

Molecular Weight

172.25 g/mol

Controlled

Chemical Information

2-Morpholinoethyl isothiocyanate

CAS Number	63224-35-1
PubChem CID	143957
IUPAC Name	4-(2-isothiocyanatoethyl)morpholine
Molecular Formula	C7H12N2OS
Molecular Weight	172.25
XLogP	1.3
Topological Polar Surface Area	56.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	151

SMILES

C1COCCN1CCN=C=S

InChI

InChI=1S/C7H12N2OS/c11-7-8-1-2-9-3-5-10-6-4-9/h1-6H2

InChIKey

SDNSCXCXVQHBGH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63224-35-1

CID: 143957

Formula: C7H12N2OS

MW: 172.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.25
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	172.06703418
Monoisotopic Mass	172.06703418
Topological Polar Surface Area	56.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CDA64445	4- (2-Morpholinoethyl) -3-thiosemicarbazide
PMC63794-01	3- (2-Morpholinoethyl) pyrrolidin-2-one
NAA03760	2-Bromophenyl Isothiocyanate
TAA96744	2-Chlorobenzyl isothiocyanate
FP08224-01	2-Phenylethyl isothiocyanate
FB58318	2-Bromoethyl isothiocyanate
CAA74081	2-Chlorophenyl Isothiocyanate
CWB96127-01	1- (2-Morpholinoethyl) -1H-pyrazol-4-amine
IBA90403-01	2,4-Dimethoxyphenyl isothiocyanate
QBA53206-01	2,5-Dimethoxyphenyl isothiocyanate

Catalog	Name
OR1021307	2-Morpholinoethyl isothiocyanate
P3384	Phenethyl Isothiocyanate (2-Phenylethyl isothiocyanate)
266922-01	2-Bromoethyl isothiocyanate
267359-01	2-Chloroethyl isothiocyanate
sc-281264	2-Biphenyl isothiocyanate
sc-259983	2-Methoxycarbonylphenyl isothiocyanate
sc-230224D	2-Chlorophenyl isothiocyanate
sc-230349	2-Fluorophenyl isothiocyanate
sc-352234A	2-Iodophenyl isothiocyanate
sc-225247	2-Bromophenyl isothiocyanate