Thiourea-13C

CAT: 0572-TRC-T375454-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-T375454-50MGSize:50 mg

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CAS Number

113899-66-4

Hazard Statement

Harmful if swallowed; UN number: UN3077; Packing Group: III

Purity

>95% (HPLC)

Smiles

N[13C](N)=S

Molecular Formula

13CH4N2S

Molecular Weight

77.11

Shipping Conditions

Room Temperature

Storage Conditions

+20°C

Chemical Information

Thiourea-13C

CAS Number	113899-66-4
PubChem CID	12201089
IUPAC Name	diamino(113C)methanethione
Molecular Formula	CH4N2S
Molecular Weight	77.12
XLogP	-0.8
Topological Polar Surface Area	84.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	4
Formal Charge	0
Complexity	29

SMILES

[13C](=S)(N)N

InChI

InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)/i1+1

InChIKey

UMGDCJDMYOKAJW-OUBTZVSYSA-N

Chemical Structure

2D Structure

CAS: 113899-66-4

CID: 12201089

Formula: CH4N2S

MW: 77.12

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	77.12
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	77.01287414
Monoisotopic Mass	77.01287414
Topological Polar Surface Area	84.1 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	29
Isotope Atom Count	1
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

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CS-EC-00099	Thiourea-13C
sc-213039	Thiourea-13C,15N2
42000094-2	Thiourea
WAA18513-01	(Methylamino) thiourea

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Chemical Information

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