AG003SFO

7204-48-0 | tert-butylthiourea

AG003SFO

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CAS Number	7204-48-0
Catalog Number	AG003SFO(AGN-PC-0JVOTE)
Chemical Name	tert-butylthiourea
IUPAC Name	tert-butylthiourea
InChI	InChI=1S/C5H12N2S/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)
InChI Key	RYOCWONLFFPYMN-UHFFFAOYSA-N
MDL Number	MFCD00041192
Molecular Formula	C5H12N2S
Molecular Weight	132.2272
SMILES	CC(NC(N)=S)(C)C
Synonyms	tert-butylthiourea, 7204-48-0, 1-tert-Butyl-2-thiourea, 1-tert-butylthiourea, N-(tert-butyl)thiourea, 1-(tert-Butyl)thiourea, tert-Butyl-thiourea, MFCD00041192, t-butylthiourea, n-tertbutylthiourea, tert-butyl thiourea, N-(t-butyl)thiourea, AC1LEK7R, AC1Q7EGQ, ACMC-1BB93, SCHEMBL80295, SCHEMBL8344601, N-(tert-Butyl)thiourea, 97%, CTK3J2461, DTXSID90353234, RYOCWONLFFPYMN-UHFFFAOYSA-N, HMS1725L03, ZINC167242, Thiourea,N-(1,1-dimethylethyl)-, 8672AE, ANW-36146, KM1445, AKOS001045250, AC-2400, CB-1505, MCULE-5791832264, RTR-023606, VZ21643, amino[(tert-butyl)amino]methane-1-thione, AN-13982, ZB008797, AB1003956, DB-019346, TL8005048, TR-023606, FT-0636388, ST51025102, I09-1624, Z56948375, null, C5H12N2S, AR-1C5680, CID737374, ZINC00167242, 72595-99-4,

Complexity	93.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.072g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	132.225g/mol
Monoisotopic Mass	132.072g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330-P403-P501
UN Code

Certificate of Analysis

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