4- (Methylthio) -2-ureidobutanamide

CAT: 0127-OR1056199-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1056199-01Size:100 mg

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CAS Number

55064-40-9

MDL Number

MFCD11643203

Purity

97%

Smiles

O=C(N)C(NC(N)=O)CCSC

Chemical Information

Butanamide, 2-[(aminocarbonyl)amino]-4-(methylthio)-

CAS Number	55064-40-9
PubChem CID	11310033
IUPAC Name	2-(carbamoylamino)-4-methylsulfanylbutanamide
Molecular Formula	C6H13N3O2S
Molecular Weight	191.25
XLogP	-1.2
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	174

SMILES

CSCCC(C(=O)N)NC(=O)N

InChI

InChI=1S/C6H13N3O2S/c1-12-3-2-4(5(7)10)9-6(8)11/h4H,2-3H2,1H3,(H2,7,10)(H3,8,9,11)

InChIKey

VFMOYGNLHSTUPJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55064-40-9

CID: 11310033

Formula: C6H13N3O2S

MW: 191.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.25
XLogP3	-1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	191.07284784
Monoisotopic Mass	191.07284784
Topological Polar Surface Area	124 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR85034-01	2- (Methylthio) -4-pyrimidinecarbonitrile
OR937881-01	4-Methylthio-2-butanone
OR1045240-01	4- (4-Methoxyphenyl) -2- (methylthio) pyrimidine
OR80696-01	4-Methyl-4-methylthio-2-pentanone
PC1025164-01	4-fluoro-2- (methylthio) benzonitrile
PC1023632-01	2-Fluoro-4- (methylthio) phenol
PC1023482	2-Fluoro-4- (methylthio) benzaldehyde
OR1092399	2-[4- (Methylthio) phenyl]pyridine
OR1080926-01	2-methyl-4- (methylthio) benzonitrile
OR1068529-01	2-Hydrazineyl-4- (methylthio) pyrimidine