1-(p-Methylphenylsulfonyl)semicarbazide - CAS 10396-10-8

Catalog:	BB001271
Product Name:	1-(p-Methylphenylsulfonyl)semicarbazide
CAS:	10396-10-8
Synonyms:	[(4-methylphenyl)sulfonylamino]urea; [(4-methylphenyl)sulfonylamino]urea

Technical Data

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Patents

Computed Properties

IUPAC Name:	[(4-methylphenyl)sulfonylamino]urea
Description:	1-(p-Methylphenylsulfonyl)semicarbazide (CAS# 10396-10-8) is a useful research chemical compound.
Molecular Weight:	229.26
Molecular Formula:	C8H11N3O3S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)N
InChI:	InChI=1S/C8H11N3O3S/c1-6-2-4-7(5-3-6)15(13,14)11-10-8(9)12/h2-5,11H,1H3,(H3,9,10,12)
InChI Key:	VRFNYSYURHAPFL-UHFFFAOYSA-N
Density:	1.381 g/cm³
Appearance:	White powder
Storage:	Sealed in dry, Store in freezer, under -20 °C
MDL:	MFCD00072243
LogP:	2.41950

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.05211239
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	229.05211239
Rotatable Bond Count:	3
Topological Polar Surface Area:	110 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2